4-(Phenylthio)benzenemethanol

C₁₃H₁₂OSCAS 6317-56-2216.30 g/mol

Open in Covalent MOL file

Alcohol Sulfide

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

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

4 names

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

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 1,4-Benzenedimethanol589-29-755 % similar 4-(Methylthio)benzenemethanol3446-90-054 % similar 4-[(Trifluoromethyl)thio]benzenemethanol56456-52-148 % similar 4-(Benzyloxy)benzyl alcohol836-43-147 % similar Gastrodigenin623-05-244 % similar 2-Naphthalenemethanol1592-38-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook