chempirical

3-Methyl-4-(methylthio)phenol

C8H10OSCAS 3120-74-9154.23 g/mol

Open in Covalent MOL file
SOH
PhenolSulfide

Properties

Molecular formula
C8H10OS
Molar mass
154.23 g/mol
Exact mass
154.0452 Da
Melting point
57 °C
Boiling point
148–151 °C (at 15 Torr)
logP
2.42Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
3120-74-9
SMILES
CSc1ccc(O)cc1C
InChIKey
VKALYYFVKBXHTF-UHFFFAOYSA-N
InChI
InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3

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Names and synonyms

9 names
  • Phenol, 3-methyl-4-(methylthio)-
  • m-Cresol, 4-(methylthio)-
  • MMTP
  • 4-(Methylthio)-m-cresol
  • 4-(Methylthio)-3-methylphenol
  • 4-Hydroxy-2-methylthioanisole
  • NSC 87560
  • 4-Methylsulfanyl-3-methylphenol
  • 3-Methyl-4-methylsulfanylphenol

Work with 3-Methyl-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Xylenol95-65-856 % similar Methylhydroquinone95-71-652 % similar 4-Bromo-3-methylphenol14472-14-148 % similar 4-Amino-3-methylphenol2835-99-648 % similar 4-Fluoro-3-methylphenol452-70-048 % similar P-Chlorocresol59-50-748 % similar 4-Methylresorcinol496-73-147 % similar 3-Methyl-4-isopropylphenol3228-02-245 % 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 4-(Methylthio)benzenemethanol3446-90-0 1-(2-Thienyl)-1-butanone5333-83-5 4-Methoxybenzylthiol6258-60-2 2-(Phenylthio)ethanol699-12-7

Elsewhere

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