Basic information
- CAS
89040-09-5- Standard SMILES
OCCSCc1ccccc1Cl- InChIKey
FFELSGRWMDHTSN-UHFFFAOYSA-N- Molecular formula
- C9H11ClOS
- Average molar mass
- 202.7 g/mol
- Monoisotopic mass
- 202.0219138
Names & identifiers
- Preferred name
- 2-{[(2-Chlorophenyl)methyl]sulfanyl}ethan-1-ol
- IUPAC
- 2-[(2-chlorophenyl)methylsulfanyl]ethanol
Names & synonyms
89040-09-52-{[(2-Chlorophenyl)methyl]sulfanyl}ethan-1-olSCHEMBL10730183DTXSID70573059AKOS009166007
Database identifiers
- CAS
89040-09-5- PubChem CID
- 15469722
- DTXSID
DTXSID70573059
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…