Basic information
- CAS
2464-23-5- Standard SMILES
O=C(O)C(=O)CS- InChIKey
OJOLFAIGOXZBCI-UHFFFAOYSA-N- Molecular formula
- C3H4O3S
- Average molar mass
- 120.13 g/mol
- Monoisotopic mass
- 119.98811516
Names & identifiers
- Preferred name
- Mercaptopyruvic acid
- IUPAC
- 2-oxo-3-sulfanylpropanoic acid
- English name
- Propanoic acid, 3-mercapto-2-oxo-
- Molecular formula
- C3H4O3S
- Molecular weight
- 120.13
Names & synonyms
3-mercaptopyruvic acid2-oxo-3-sulfanylpropanoic acid2464-23-53-Mercapto-2-oxopropanoic acidMercaptopyruvic acidbeta-Thiopyruvic acid5Z1F5OW4YBCHEBI:16208DTXSID20862960RefChem:502940DTXCID90198809mercaptopyruvate
Show more names
MERCAPTOPYRUVICACIDCarbocisteine Impurity 683-Mercapto-2-oxopropionic acid2-oxo-3-sulfanyl-propanoic acid
beta-Mercaptopyruvic acidbeta-thiopyruvatePyruvic acid, 3-mercapto-propanoic acid, 3-mercapto-2-oxo-MFCD008717153-mercapto-pyruvic acidUNII-5Z1F5OW4YB3-MERCAPTO-PYRUVATE
Database identifiers
- CAS
2464-23-5- PubChem CID
- 98
- DTXSID
DTXSID20862960- ChEBI
CHEBI:16208- UNII
- 5Z1F5OW4YB
- Nikkaji
- J72.997C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 98
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 227.7 · 227.7±23.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- FLAVIS Number
- 12.136 · 12.136 | 3-Mercapto-2-oxopropionic acid
- pka
- 2.15 · 2.15±0.54(Predicted)
- LogP
- -0.834 · -0.834 (est)
- FDA UNII
- 5 Z1F5OW4YB · 5Z1F5OW4YB
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Propanoic acid, 3-mercapto-2-oxo-: Does not have an individual approval but may be used under an appropriate group standard
Regulatory information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Propanoic acid, 3-mercapto-2-oxo-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsMitochondria
Metabolite PathwaysBeta-mercaptolactate-cysteine disulfiduria；Cysteine Metabolism；Cystinosis, ocular nonnephropathic
Upstream & downstream products
Downstream products
Suppliers4 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: A 2-oxo monocarboxylic acid that is pyruvic acid substituted by a sulfanyl group at position 3.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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