1-(Phenylthio)-2-propanol
Basic information
- CAS
937-56-4- Standard SMILES
CC(O)CSc1ccccc1- InChIKey
LMWDPYSNDDVIAD-UHFFFAOYSA-N- Molecular formula
- C9H12OS
- Average molar mass
- 168.26 g/mol
- Monoisotopic mass
- 168.06088618
Names & identifiers
- Preferred name
- 1-(Phenylthio)-2-propanol
- IUPAC
- 1-phenylsulfanylpropan-2-ol
- English name
- 1-(Phenylthio)propane-2-ol
- Molecular weight
- 0
Names & synonyms
937-56-41-(Phenylthio)-2-propanolDTXSID501312182RefChem:1054744DTXCID408598722-Propanol, 1-phenylthio-1-Phenylthio-2-propanol1-(phenylthio)propan-2-ol2-Propanol, 1-(phenylthio)-NSC 220065BRN 47821491-(phenylsulfanyl)propan-2-ol
Show more names
1-(Phenylthio)propane-2-ol
NSC2200653-phenylthio-2-propanolWLN: QY1&1SR1-(Phenylsulfanyl)-2-propanolSCHEMBL1496593SCHEMBL6647573SCHEMBL8052811NSC-220065
Database identifiers
- CAS
937-56-4- PubChem CID
- 99788
- DTXSID
DTXSID501312182- Nikkaji
- J51.006H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.7
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Related reactions
3 records
Compound notes
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