S-(1,2-dichlorovinyl)-3-mercaptopropionic acid
Basic information
- CAS
2148-04-1- Standard SMILES
O=C(O)CCS/C(Cl)=C/Cl- InChIKey
OUYWCPIHDOSBEJ-ONEGZZNKSA-N- Molecular formula
- C5H6Cl2O2S
- Average molar mass
- 201.07 g/mol
- Monoisotopic mass
- 199.946556
Overview
2-ketoacid dehydrogenase antagonist
Names & identifiers
- Preferred name
- S-(1,2-dichlorovinyl)-3-mercaptopropionic acid
- IUPAC
- 3-[(Z)-1,2-dichloroethenyl]sulfanylpropanoic acid
- English name
- S-(1,2-dichlorovinyl)-3-mercaptopropionic acid
- Molecular formula
- C5H6Cl2O2S
- Molecular weight
- 201.07
Names & synonyms
2148-04-15,6-DcthS-(1,2-Dichlorovinyl)-3-mercaptopropionic acidRefChem:180474Propanoic acid, 3-((1,2-dichloroethenyl)thio)-3-[(Z)-1,2-dichloroethenyl]sulfanylpropanoic acidDTXSID7013540715,6-Dichloro-4-thia-5-hexenoatePropanoic acid, 3-[(1,2-dichloroethenyl)thio]-
Database identifiers
- CAS
2148-04-1- PubChem CID
- 6440171
- DTXSID
DTXSID701354071- Nikkaji
- J557.978C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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