3-(Benzylsulfanyl)propan-1-ol
Basic information
- CAS
26902-03-4- Standard SMILES
OCCCSCc1ccccc1- InChIKey
JXKPOLNVTYFXSN-UHFFFAOYSA-N- Molecular formula
- C10H14OS
- Average molar mass
- 182.28 g/mol
- Monoisotopic mass
- 182.07653624
Names & identifiers
- Preferred name
- 3-(Benzylsulfanyl)propan-1-ol
- IUPAC
- 3-benzylsulfanylpropan-1-ol
- English name
- 3-(Benzylsulfanyl)propan-1-ol
- Molecular formula
- C10H14OS
- Molecular weight
- 182.28
Names & synonyms
3-(Benzylsulfanyl)propan-1-ol26902-03-4DTXSID50323438RefChem:275154DTXCID902745563-benzylsulfanylpropan-1-ol3-[(Phenylmethyl)thio]-1-propanolNSC404010SCHEMBL4088642SCHEMBL4088646BBA90203MFCD09865797
Show more names
3-(benzylthio)propan-1-ol1-Propanol, 3-[(phenylmethyl)thio]-
AKOS0090328533-(BENZYLSULFANYL)-1-PROPANOLNSC-404010CS-0308848EN300-135997G42676A1-10236Z104944808
Database identifiers
- CAS
26902-03-4- PubChem CID
- 346012
- DTXSID
DTXSID50323438- Nikkaji
- J3.694.751I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 100
Physicochemical properties
- Boiling point
- 185 · 185-188 °C(Press: 20 Torr)
- Density
- 1.084 g/cm3 · 1.084 g/cm3(Temp: 22.3 °C)
- pka
- 14.97 · 14.97±0.10(Predicted)
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Related reactions
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Compound notes
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