4-(Methylthio)phenol
Properties
- Molecular formula
- C7H8OS
- Molar mass
- 140.20 g/mol
- Exact mass
- 140.0296 Da
- Melting point
- 83–84 °C
- Boiling point
- 113 °C
- logP
- 2.11Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
1073-72-9SMILES
CSc1ccc(O)cc1InChIKey
QASBCTGZKABPKX-UHFFFAOYSA-NInChI
InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- Phenol, 4-(methylthio)-
- Phenol, p-(methylthio)-
- Phenol, p-methylmercapto-
- p-(Methylthio)phenol
- p-Hydroxyphenyl methyl sulfide
- 4-(Methylmercapto)phenol
- p-Hydroxythioanisole
- Methyl 4-hydroxyphenyl sulfide
- 4-Hydroxyphenyl methyl sulfide
- 4-Methylsulfanylphenol
- NSC 75840
- 4-(Methylsulfenyl)phenol
- 4-Hydroxythioanisole
Work with 4-(Methylthio)phenol
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4,4′-Thiodiphenol2664-63-357 % similar
4-Bromothioanisole104-95-057 % similar
Methyl P-tolyl sulfide623-13-252 % similar
4-(Methylthio)aniline104-96-150 % similar
4-(Methylthio)benzenethiol1122-97-050 % similar
1-Chloro-4-(methylthio)benzene123-09-150 % similar
Hydroquinone123-31-950 % similar
4-(Methylthio)benzenemethanol3446-90-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds