4-Mercaptobutanoic acid
4-Mercaptobutanoic acid structure
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Common Name | 4-Mercaptobutanoic acid | ||
|---|---|---|---|---|
| CAS Number | 13095-73-3 | Molecular Weight | 120.170 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 262.5±23.0 °C at 760 mmHg | |
| Molecular Formula | C4H8O2S | Melting Point | N/A | |
| MSDS | USA | Flash Point | 112.6±22.6 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-sulfanylbutanoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 262.5±23.0 °C at 760 mmHg |
| Molecular Formula | C4H8O2S |
| Molecular Weight | 120.170 |
| Flash Point | 112.6±22.6 °C |
| Exact Mass | 120.024498 |
| PSA | 76.10000 |
| LogP | 0.69 |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.494 |
| InChIKey | DTRIDVOOPAQEEL-UHFFFAOYSA-N |
| SMILES | O=C(O)CCCS |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Phrases | 36/38 |
| RIDADR | UN 3334 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~65%
4-Mercaptobutan... CAS#:13095-73-3 |
| Literature: Li, Minfeng; Yamato, Kazuhiro; Ferguson, Joseph S.; Gong, Bing Journal of the American Chemical Society, 2006 , vol. 128, # 39 p. 12628 - 12629 |
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4-Mercaptobutan... CAS#:13095-73-3 |
| Literature: Chemische Berichte, , vol. 94, p. 1966 - 1976 |
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4-Mercaptobutan... CAS#:13095-73-3 |
| Literature: Arkiv foer Kemi, , vol. 14 A, # 7 p. 14,17 Chem. Zentralbl., , vol. 112, # II p. 2554 |
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4-Mercaptobutan... CAS#:13095-73-3 |
| Literature: Journal of Biological Chemistry, , vol. 119, p. 690 |
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4-Mercaptobutan... CAS#:13095-73-3 |
| Literature: Journal of the American Chemical Society, , vol. 84, p. 2814 - 2818 |
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4-Mercaptobutan... CAS#:13095-73-3 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 596, p. 162,182 DE759483 , ; DRP/DRBP Org.Chem. |
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4-Mercaptobutan... CAS#:13095-73-3 |
| Literature: Arkiv foer Kemi, , vol. 8, p. 457,459,460 |
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4-Mercaptobutan... CAS#:13095-73-3 |
| Literature: Chemische Berichte, , vol. 75, p. 468,479 - 481 |
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% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of Haemophilus influenzae recombinant DapE
Source: ChEMBL
Target: Succinyl-diaminopimelate desuccinylase
External Id: CHEMBL1101552
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Butanoic acid,4-mercapto |
| 4-Sulfanylbutanoic acid |
| 3-mercaptomethyl propionic acid |
| 4-Mercaptobutanoic acid |
| GMBA |
| EINECS 236-013-5 |
| 4-MercaptobutyricAcid |
| BUTYRIC ACID,4-MERCAPTO |
| 4-Thiobutyric Acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 4-sulfanylbutanoic acid? |
| A: Polar surface area (PSA) of 4-sulfanylbutanoic acid is 76.10000. |
| Q: What is the LogP of 4-sulfanylbutanoic acid? |
| A: LogP of 4-sulfanylbutanoic acid is 0.69. |
| Q: What is the English name of 4-sulfanylbutanoic acid? |
| A: The English name of 4-sulfanylbutanoic acid is 4-sulfanylbutanoic acid. |
| Q: What is the CAS number of 4-sulfanylbutanoic acid? |
| A: CAS number of 4-sulfanylbutanoic acid is 13095-73-3. |
| Q: What is the molecular formula of 4-sulfanylbutanoic acid? |
| A: Molecular formula of 4-sulfanylbutanoic acid is C4H8O2S. |
| Q: What is the InChIKey of 4-sulfanylbutanoic acid? |
| A: InChIKey of 4-sulfanylbutanoic acid is DTRIDVOOPAQEEL-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 4-sulfanylbutanoic acid? |
| A: Molecular weight of 4-sulfanylbutanoic acid is 120.170. |
| Q: What English synonyms does 4-sulfanylbutanoic acid have? |
| A: English synonyms of 4-sulfanylbutanoic acid: Butanoic acid,4-mercapto, 4-Sulfanylbutanoic acid, 3-mercaptomethyl propionic acid, 4-Mercaptobutanoic acid, GMBA, EINECS 236-013-5, 4-MercaptobutyricAcid, BUTYRIC ACID,4-MERCAPTO, 4-Thiobutyric Acid. |
| Q: What is the SMILES notation of 4-sulfanylbutanoic acid? |
| A: SMILES notation of 4-sulfanylbutanoic acid is O=C(O)CCCS. |
| Q: What is the boiling point of 4-sulfanylbutanoic acid? |
| A: Boiling point of 4-sulfanylbutanoic acid is 262.5±23.0 °C at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |