Ethyl [(2-chloroethyl)sulfanyl]acetate
Basic information
- CAS
4332-56-3- Standard SMILES
CCOC(=O)CSCCCl- InChIKey
BVJWZFFOCWNENA-UHFFFAOYSA-N- Molecular formula
- C6H11ClO2S
- Average molar mass
- 182.67 g/mol
- Monoisotopic mass
- 182.0168285
Names & identifiers
- Preferred name
- Ethyl [(2-chloroethyl)sulfanyl]acetate
- IUPAC
- ethyl 2-(2-chloroethylsulfanyl)acetate
Names & synonyms
4332-56-3NSC58817Ethyl [(2-chloroethyl)sulfanyl]acetateSCHEMBL28105439DTXSID10962988NSC-58817
Database identifiers
- CAS
4332-56-3- PubChem CID
- 246181
- DTXSID
DTXSID10962988
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.7
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Compound notes
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