Basic information
- Standard SMILES
CSCC(CSC(C)=O)C(=O)Cl- InChIKey
UUNMTQQOMUGHHC-UHFFFAOYSA-N- Molecular formula
- C7H11ClO2S2
- Average molar mass
- 226.7 g/mol
Names & identifiers
- Preferred name
- 3-(Acetylthio)-2-(methylthiomethyl)propanoic acid chloride
- IUPAC
- S-[3-chloro-2-(methylsulfanylmethyl)-3-oxopropyl] ethanethioate
Names & synonyms
SCHEMBL10553705UUNMTQQOMUGHHC-UHFFFAOYSA-N3-(acetylthio)-2(methylthiomethyl)propanoic acid chloride3-(acetylthio)-2-(methylthiomethyl)propanoic acid chloride
Database identifiers
- PubChem CID
- 54372995
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Related reactions
8 records
Compound notes
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