Basic information
- CAS
333782-91-5- Standard SMILES
ClCCSC1CCCCCC1- InChIKey
VZAFAIWKCNQHJP-UHFFFAOYSA-N- Molecular formula
- C9H17ClS
- Average molar mass
- 192.75 g/mol
- Monoisotopic mass
- 192.0739494
Names & identifiers
- Preferred name
- 2-Chloroethyl cycloheptyl sulfide
- IUPAC
- 2-chloroethylsulfanylcycloheptane
Names & synonyms
SCHEMBL77270422-chloroethyl cycloheptyl sulfideVZAFAIWKCNQHJP-UHFFFAOYSA-N[(2-Chloroethyl)thio]cycloheptaneDTXSID701298611[(2-chloroethyl)sulfanyl]cycloheptane333782-91-5
Database identifiers
- CAS
333782-91-5- PubChem CID
- 22453372
- DTXSID
DTXSID701298611
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 87
Related reactions
4 records
Compound notes
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