Basic information
- CAS
15033-25-7- Standard SMILES
O=C(SCCCl)c1ccccc1- InChIKey
JCKJDYOROBKSCI-UHFFFAOYSA-N- Molecular formula
- C9H9ClOS
- Average molar mass
- 200.69 g/mol
- Monoisotopic mass
- 200.0062638
Names & identifiers
- Preferred name
- s-(2-Chloroethyl) benzenecarbothioate
- IUPAC
- S-(2-chloroethyl) benzenecarbothioate
Names & synonyms
15033-25-7s-(2-chloroethyl) benzenecarbothioateNSC81376SCHEMBL6057430DTXSID80933908NSC-81376
Database identifiers
- CAS
15033-25-7- PubChem CID
- 255683
- DTXSID
DTXSID80933908
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…