Basic information
- CAS
838-67-5- Standard SMILES
OC(CSCc1ccccc1)c1ccccc1- InChIKey
PZFGUDPQZCBTGY-UHFFFAOYSA-N- Molecular formula
- C15H16OS
- Average molar mass
- 244.4 g/mol
- Monoisotopic mass
- 244.0921863
Names & identifiers
- Preferred name
- 2-(Benzylsulfanyl)-1-phenylethanol
- IUPAC
- 2-benzylsulfanyl-1-phenylethanol
Names & synonyms
838-67-52-(benzylsulfanyl)-1-phenylethanolNSC1087242-(benzylsulfanyl)-1-phenylethan-1-olDTXSID002963002-Benzylsulfanyl-1-phenyl-ethanolAKOS009029903NSC-108724DS-012994
Database identifiers
- CAS
838-67-5- PubChem CID
- 268486
- DTXSID
DTXSID00296300- Nikkaji
- J619.838D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…