Basic information
- CAS
5877-10-1- Standard SMILES
CC(O)CSCc1ccccc1- InChIKey
PVGVBUONUDMBNQ-UHFFFAOYSA-N- Molecular formula
- C10H14OS
- Average molar mass
- 182.28 g/mol
- Monoisotopic mass
- 182.07653624
Names & identifiers
- Preferred name
- 1-(Benzylsulfanyl)propan-2-ol
- IUPAC
- 1-benzylsulfanylpropan-2-ol
Names & synonyms
1-(Benzylsulfanyl)propan-2-ol5877-10-1DTXSID70527431RefChem:226147DTXCID104782361-(benzylthio)propan-2-ol1-benzylsulfanyl-propan-2-ol1-(benzylsulfanyl)-2-propanolSCHEMBL10725573SCHEMBL11590906
Database identifiers
- CAS
5877-10-1- PubChem CID
- 13204331
- DTXSID
DTXSID70527431- Nikkaji
- J2.472.329A
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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