5-mercapto-1-methyltetrazole

Modify Date: 2024-01-02 11:18:40

5-mercapto-1-methyltetrazole Structure
5-mercapto-1-methyltetrazole structure
Common Name 5-mercapto-1-methyltetrazole
CAS Number 13183-79-4 Molecular Weight 116.145
Density 1.7±0.1 g/cm3 Boiling Point 237.2±23.0 °C at 760 mmHg
Molecular Formula C2H4N4S Melting Point 125-128 °C(lit.)
MSDS N/A Flash Point 97.2±22.6 °C

 Names

Name 5-Mercapto-1-methyltetrazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.7±0.1 g/cm3
Boiling Point 237.2±23.0 °C at 760 mmHg
Melting Point 125-128 °C(lit.)
Molecular Formula C2H4N4S
Molecular Weight 116.145
Flash Point 97.2±22.6 °C
Exact Mass 116.015663
PSA 82.40000
LogP 0.12
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.807
Storage condition Refrigerator

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XF7600000
CHEMICAL NAME :
1H-Tetrazole-5-thiol, 1-methyl-
CAS REGISTRY NUMBER :
13183-79-4
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C2-H4-N4-S
MOLECULAR WEIGHT :
116.16
WISWESSER LINE NOTATION :
T5NNNNJ A1 ESH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
3100 mg/kg
SEX/DURATION :
male 31 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 107,164,1991
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
300 mg/kg
SEX/DURATION :
male 30 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 8,280,1987
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
7 gm/kg
SEX/DURATION :
male 14 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 36,467,1987

 Safety Information

Hazard Codes Xi:Irritant
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
WGK Germany 3
RTECS XF7600000
HS Code 2933990090

 Synthetic Route

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5-mercapto-1-methyltetrazole Structure

5-mercapto-1-me...

CAS#:13183-79-4

Literature: US4110338 A1, ;

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5-mercapto-1-methyltetrazole Structure

5-mercapto-1-me...

CAS#:13183-79-4

Literature: US4515958 A1, ;

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5-mercapto-1-methyltetrazole Structure

5-mercapto-1-me...

CAS#:13183-79-4

Literature: US4110338 A1, ;

~92%

5-mercapto-1-methyltetrazole Structure

5-mercapto-1-me...

CAS#:13183-79-4

Literature: Maiti, Samarendra N.; Spevak, Paul; Singh, Maya Prakash; Micetich, Ronald G.; Reddy, A. V. Narender Synthetic Communications, 1988 , vol. 18, # 6 p. 575 - 582

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5-mercapto-1-methyltetrazole Structure

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CAS#:13183-79-4

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 10, # 13 p. 1421 - 1425

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5-mercapto-1-methyltetrazole Structure

5-mercapto-1-me...

CAS#:13183-79-4

Literature: Journal fuer Praktische Chemie (Leipzig), , vol. <2>124, p. 275

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5-mercapto-1-methyltetrazole Structure

5-mercapto-1-me...

CAS#:13183-79-4

Literature: US2386869 , ;

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

MMTZ
1-methylterazole-5-thiol
5-mercapto-1-methyltetrazole
T-1982F
5-mercapto-1-methyl-1H-1,2,3,4-tetrazole
5-mercapto-1-methyl-1H-tetrazole
5H-tetrazole-5-thione, 1,2-dihydro-1-methyl-
5-mercapto-1-methyl-1,2,3,4-tetrazole
1-methyl-1,2,3,4-tetrazole-5-thiol
1-methyl-5-mercapto-1H-tetrazole
1-n-methyl-5-thiotetrazole
1-methyl-5-mercapto-1,2,3,4-tetrazole
5-MMT
1-Methyl-5-Mercaptotetrazole
EINECS 236-132-2
1H-Tetrazole-5-thiol, 1-methyl-
1-Methyl-1,2-dihydro-5H-tetrazole-5-thione
1-Methyl-5-mercaptoteterazole
1,2-Dihydro-1-Methyl
5H-tetrazole-5-thione, 1,4-dihydro-1-methyl-
MFCD00037317
N-Methyl-5-tetrazolethiol
n-methyltetrazolethiol
1-methyl-1H-tetrazole-5-thiol
1-METHYLTETRAZOLE-5-THIOL
1-Methyl-1,4-dihydro-5H-tetrazole-5-thione
Methylthiotetranitrazole
Cefmetazole Impurity 2