2-(2-Chloroethylsulfanyl)ethyl benzoate
Basic information
- CAS
6278-53-1- Standard SMILES
O=C(OCCSCCCl)c1ccccc1- InChIKey
UFXZTRWGCYSXPO-UHFFFAOYSA-N- Molecular formula
- C11H13ClO2S
- Average molar mass
- 244.74 g/mol
- Monoisotopic mass
- 244.0324785
Names & identifiers
- Preferred name
- 2-(2-Chloroethylsulfanyl)ethyl benzoate
- IUPAC
- 2-(2-chloroethylsulfanyl)ethyl benzoate
Names & synonyms
6278-53-12-(2-chloroethylsulfanyl)ethyl benzoate2-[(2-chloroethyl)sulfanyl]ethyl benzoateNSC34726DTXSID00283992NSC-34726
Database identifiers
- CAS
6278-53-1- PubChem CID
- 234589
- DTXSID
DTXSID00283992
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
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Compound notes
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