4-(Phenylthio)benzenemethanol

C13H12OSCAS 6317-56-2216.30 g/mol

Open in Covalent MOL file
HOS
AlcoholSulfide

Properties

Molecular formula
C13H12OS
Molar mass
216.30 g/mol
Exact mass
216.0609 Da
Melting point
49–51 °C
logP
3.33Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6317-56-2
SMILES
OCc1ccc(Sc2ccccc2)cc1
InChIKey
PGOAWMRWDZJQTB-UHFFFAOYSA-N
InChI
InChI=1S/C13H12OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzenemethanol, 4-(phenylthio)-
  • NSC 43060
  • 4-(Phenylthio)benzyl alcohol
  • [4-(Phenylsulfanyl)phenyl]methanol
  • p-(Phenylthio)benzyl alcohol

Work with 4-(Phenylthio)benzenemethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzyl alcohol100-51-661 % similar [1,1′-Biphenyl]-4-methanol3597-91-958 % similar Diphenyl sulfide139-66-255 % similar 1,4-Benzenedimethanol589-29-755 % similar 4-(Methylthio)benzenemethanol3446-90-054 % similar (4-Phenoxyphenyl)methanol2215-78-352 % similar 4-((Trifluoromethyl)thio)benzenemethanol56456-52-148 % similar 4,4'-Bis(hydroxymethyl)biphenyl1667-12-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Acetyl-2-methyl-5-phenylthiophene40932-63-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook