4-Hydroxy-3-methylthiophenol

C₇H₈OSCAS 32281-01-9140.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈OS
Molar mass: 140.20 g/mol
Exact mass: 140.0296 Da
logP: 1.99Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

32281-01-9

SMILES

CC1=C(C=CC(=C1)S)O

InChIKey

UMJGOCMSBZWCNY-UHFFFAOYSA-N

InChI

InChI=1S/C7H8OS/c1-5-4-6(9)2-3-7(5)8/h2-4,8-9H,1H3

Weigh it out

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

Names and synonyms

1 names

4-Mercapto-2-methylphenol

Work with 4-Hydroxy-3-methylthiophenol

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-Dimethylbenzenethiol18800-53-860 % similar 2,4-Dimethylphenol105-67-956 % similar Methylhydroquinone95-71-656 % similar 4-Chloro-2-methylphenol1570-64-552 % similar 4-Bromo-2-methylphenol2362-12-152 % similar 5-Amino-2-hydroxytoluene2635-95-252 % similar 4-Amino-2-methylphenol2835-96-352 % similar 4-Fluoro-2-methylphenol452-72-252 % similar

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

Same formula

2-(Methylthio)phenol1073-29-6 4-(Methylthio)phenol1073-72-9 Methyl phenyl sulfoxide1193-82-4 2-Acetyl-3-methylthiophene13679-72-6 2-Acetyl-4-methylthiophene13679-73-7 2-Acetyl-5-methylthiophene13679-74-8 1-(2-Thienyl)-1-propanone13679-75-9 3-Methoxybenzenethiol15570-12-4

Elsewhere

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