chempirical

4-(Methylthio)benzenemethanol

C8H10OSCAS 3446-90-0154.23 g/mol

Open in Covalent MOL file
SOH
AlcoholSulfide

Properties

Molecular formula
C8H10OS
Molar mass
154.23 g/mol
Exact mass
154.0452 Da
logP
1.90Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
3446-90-0
SMILES
CSc1ccc(CO)cc1
InChIKey
MTXQKSQYMREAGJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H10OS/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3

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Names and synonyms

9 names
  • Benzenemethanol, 4-(methylthio)-
  • Benzyl alcohol, p-(methylthio)-
  • 4-(Methylthio)benzyl alcohol
  • p-(Methylthio)benzyl alcohol
  • 4-(Methylmercapto)benzyl alcohol
  • 4-(Hydroxymethyl)phenyl methyl sulfide
  • [4-(Methylsulfanyl)phenyl]methanol
  • 4-Methylsulfanylbenzyl alcohol
  • p-Hydroxymethylthioanisole

Work with 4-(Methylthio)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

1,4-Benzenedimethanol589-29-757 % similar 4-(Methylthio)benzyl chloride874-87-356 % similar 4-(Phenylthio)benzenemethanol6317-56-254 % similar 4-(Methylthio)phenol1073-72-950 % similar 4-(Methylthio)benzeneacetic acid16188-55-950 % similar 4-(Methylthio)benzeneacetonitrile38746-92-850 % similar 4-[(Trifluoromethyl)thio]benzenemethanol56456-52-150 % similar 4-Methylbenzyl alcohol589-18-450 % similar

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

Same formula

3-Methoxythioanisole2388-74-1 3-Acetyl-2,5-dimethylthiophene2530-10-1 3-Methyl-4-(methylthio)phenol3120-74-9 1-(2-Thienyl)-1-butanone5333-83-5 4-Methoxybenzylthiol6258-60-2 2-(Phenylthio)ethanol699-12-7

Elsewhere

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