1-[(Phenylthio)methyl]cyclohexanol
Basic information
- CAS
101704-19-2- Standard SMILES
OC1(CSc2ccccc2)CCCCC1- InChIKey
CRMGYVRRNGABTN-UHFFFAOYSA-N- Molecular formula
- C13H18OS
- Average molar mass
- 222.35 g/mol
- Monoisotopic mass
- 222.10783637
Names & identifiers
- Preferred name
- 1-[(Phenylthio)methyl]cyclohexanol
- IUPAC
- 1-(phenylsulfanylmethyl)cyclohexan-1-ol
Names & synonyms
101704-19-21-[(Phenylthio)methyl]cyclohexanol1-((Phenylthio)methyl)cyclohexanolRefChem:2221911-((Phenylthio)methyl)cyclohexan-1-olCyclohexanol, 1-[(phenylthio)methyl]-1-(phenylsulfanylmethyl)cyclohexan-1-ol1-[(phenylsulfanyl)methyl]cyclohexan-1-olNSC311942DTXSID6012973411-[(phenylsulfanyl)methyl]cyclohexanolAKOS010780496
Show more names
NSC-3119421-(phenylsulfanyl-methyl)-cyclohexan-1-olF1912-2244
Database identifiers
- CAS
101704-19-2- PubChem CID
- 329393
- DTXSID
DTXSID601297341- Nikkaji
- J2.648.823K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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