Basic information
- Standard SMILES
CC(=S)OCCl- InChIKey
GDZXBRCDCJUSRH-UHFFFAOYSA-N- Molecular formula
- C3H5ClOS
- Average molar mass
- 124.59 g/mol
Names & identifiers
- Preferred name
- Chloromethylthioacetate
- IUPAC
- O-(chloromethyl) ethanethioate
Names & synonyms
chloromethylthioacetateSCHEMBL10660920GDZXBRCDCJUSRH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 53833355
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 54.8
Related reactions
3 records
Compound notes
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