Benzene, [(2-chloropropyl)thio]-
Basic information
- CAS
5877-11-2- Standard SMILES
CC(Cl)CSc1ccccc1- InChIKey
YCURWQOSASHTAZ-UHFFFAOYSA-N- Molecular formula
- C9H11ClS
- Average molar mass
- 186.7 g/mol
- Monoisotopic mass
- 186.0269992
Names & identifiers
- Preferred name
- Benzene, [(2-chloropropyl)thio]-
- IUPAC
- 2-chloropropylsulfanylbenzene
Names & synonyms
5877-11-2[(2-chloropropyl)sulfanyl]benzeneBenzene, [(2-chloropropyl)thio]-NSC220066SCHEMBL1721488DTXSID40309948NSC-220066
Database identifiers
- CAS
5877-11-2- PubChem CID
- 312019
- DTXSID
DTXSID40309948
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 99.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…