unithiol

Modify Date: 2026-07-03 12:21:14

unithiol Structure
unithiol structure
Common Name unithiol
CAS Number 4076-02-2 Molecular Weight 210.271
Density N/A Boiling Point N/A
Molecular Formula C3H7NaO3S3 Melting Point 215 °C (dec.)
MSDS N/A Flash Point N/A

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name Sodium 2,3-dimercapto-1-propanesulfonate
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Melting Point 215 °C (dec.)
Molecular Formula C3H7NaO3S3
Molecular Weight 210.271
Exact Mass 209.945496
PSA 143.18000
LogP 0.84060
InChIKey FGGPAWQCCGEWTJ-UHFFFAOYSA-M
SMILES O=S(=O)([O-])CC(S)CS.[Na+]
Storage condition 2-8°C
Water Solubility H2O: 0.1 g/mL, clear

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Name: Dl-2 3-Dimercapto-1-Propanesulfonic Acid Sodium Salt Monohydrate Material Safety Data Sheet
Synonym: DMP
CAS: 4076-02-2
Section 1 - Chemical Product MSDS Name:Dl-2 3-Dimercapto-1-Propanesulfonic Acid Sodium Salt Monohydrate Material Safety Data Sheet
Synonym:DMP

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4076-02-2 DI-2,3-Dimercapto-1-Propanesulfonic Ac 95% 223-796-3
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Air sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
No information regarding eye irritation and other potential effects was found.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated. Inhalation of dust may cause respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4076-02-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: None reported.
pH: 5.0 0.5
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: @ 760.00mm Hg
Freezing/Melting Point: 229 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C3H7O3S3Na.H2O
Molecular Weight: 228.28

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, sodium oxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 4076-02-2: TZ6420000 LD50/LC50:
Not available.
Carcinogenicity:
DI-2,3-Dimercapto-1-Propanesulfonic Acid, Sodium Salt Monohydrate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 4076-02-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4076-02-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4076-02-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ6420000
CHEMICAL NAME :
1-Propanesulfonic acid, 2,3-dimercapto-, monosodium salt
CAS REGISTRY NUMBER :
4076-02-2
LAST UPDATED :
199309
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C3-H7-O3-S3.Na
MOLECULAR WEIGHT :
210.27
WISWESSER LINE NOTATION :
WSO&1YSH1SH &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1055 mg/kg
TOXIC EFFECTS :
Behavioral - excitement Behavioral - withdrawal Skin and Appendages - dermatitis, other (after systemic exposure)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1098 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
22709 mg/kg/36W-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - changes in metals, not otherwise specified
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
8190 mg/kg/26W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - changes in metals, not otherwise specified
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
105 gm/kg/10W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - changes in metals, not otherwise specified Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
10500 mg/kg/10W-I
TOXIC EFFECTS :
Blood - pigmented or nucleated red blood cells Nutritional and Gross Metabolic - changes in metals, not otherwise specified Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
2730 mg/kg/26W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
28 gm/kg
SEX/DURATION :
female 26 week(s) pre-mating - 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
750 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
1 mmol/L
REFERENCE :
CYGEDX Cytology and Genetics (English Translation). Translation of TGANAK. (Allerton Press Inc., 150 Fifth Ave., New York, NY 10011) V.8- 1974- Volume(issue)/page/year: 8(4),31,1974

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S24/25
WGK Germany 3
RTECS TZ6420000
HS Code 2930909090

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

2,3-Dimercaptopropylsulphonica
Dimaval
DIMERCAPTOPROPANESULPHONICACID
unitiol
Sodium 2,3-disulfanyl-1-propanesulfonate
2,3-DICHLORO-5-FORMYLPYRIDINE
2,3-dimercaptopropane-1-sulfonic acid sodium salt
EINECS 223-796-3
MFCD00007523
1-Propanesulfonic acid, 2,3-dimercapto-, monosodium salt
sodium 2,3-disulfanylpropane-1-sulfonate
SodiumDimercaptopropanesulfonate
unithiol
sodium 2,3-mercapto-1-propanesulfonate
antidote
Unithiolum
1-Propanesulfonic acid, 2,3-dimercapto-, sodium salt (1:1)
sodium 2,3-dimercaptopropane-1-sulfonate
UNII:690VN2L7TK
2,3-sulfonate
2,3-DIMERCAPTOPROPANESULPHONATE

 unithiol | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the InChIKey of Sodium 2,3-dimercapto-1-propanesulfonate?
A: InChIKey of Sodium 2,3-dimercapto-1-propanesulfonate is FGGPAWQCCGEWTJ-UHFFFAOYSA-M.
Q: What is the LogP of Sodium 2,3-dimercapto-1-propanesulfonate?
A: LogP of Sodium 2,3-dimercapto-1-propanesulfonate is 0.84060.
Q: How is the water solubility of Sodium 2,3-dimercapto-1-propanesulfonate?
A: Water solubility of Sodium 2,3-dimercapto-1-propanesulfonate: H2O: 0.1 g/mL, clear.
Q: What is the CAS number of Sodium 2,3-dimercapto-1-propanesulfonate?
A: CAS number of Sodium 2,3-dimercapto-1-propanesulfonate is 4076-02-2.
Q: What is the molecular formula of Sodium 2,3-dimercapto-1-propanesulfonate?
A: Molecular formula of Sodium 2,3-dimercapto-1-propanesulfonate is C3H7NaO3S3.
Q: What is the SMILES notation of Sodium 2,3-dimercapto-1-propanesulfonate?
A: SMILES notation of Sodium 2,3-dimercapto-1-propanesulfonate is O=S(=O)([O-])CC(S)CS.[Na+].
Q: What is the polar surface area (PSA) of Sodium 2,3-dimercapto-1-propanesulfonate?
A: Polar surface area (PSA) of Sodium 2,3-dimercapto-1-propanesulfonate is 143.18000.
Q: What are the storage conditions for Sodium 2,3-dimercapto-1-propanesulfonate?
A: Storage conditions for Sodium 2,3-dimercapto-1-propanesulfonate: 2-8°C.
Q: What is the melting point of Sodium 2,3-dimercapto-1-propanesulfonate?
A: Melting point of Sodium 2,3-dimercapto-1-propanesulfonate is 215 °C (dec.).
Q: What is the safety information for Sodium 2,3-dimercapto-1-propanesulfonate?
A: Safety information for Sodium 2,3-dimercapto-1-propanesulfonate: S24/25.

 unithiolfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
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