chempirical

4-Mercaptophenol

C6H6OSCAS 637-89-8126.17 g/mol

Open in Covalent MOL file
HOSH
PhenolThiol

Properties

Molecular formula
C6H6OS
Molar mass
126.17 g/mol
Exact mass
126.0139 Da
Melting point
29.5 °C
Boiling point
144–146 °C (at 20 Torr)
logP
1.68Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
637-89-8
SMILES
Oc1ccc(S)cc1
InChIKey
BXAVKNRWVKUTLY-UHFFFAOYSA-N
InChI
InChI=1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H

Weigh it out

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

Names and synonyms

12 names
  • Phenol, 4-mercapto-
  • Phenol, p-mercapto-
  • p-Mercaptophenol
  • Thiohydroquinone
  • 4-Hydroxybenzenethiol
  • 4-Hydroxythiophenol
  • p-Hydroxythiophenol
  • p-Hydroxybenzenethiol
  • Monothiohydroquinone
  • NSC 46192
  • 4-Merpcatophenol
  • 4-Sulfanylphenol

Work with 4-Mercaptophenol

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

Hydroquinone123-31-960 % similar 1,4-Benzenedithiol624-39-560 % similar 4-Bromothiophenol106-53-650 % similar 4,4'-Biphenol92-88-650 % similar 4-Bromophenol106-41-245 % similar P-Cresol106-44-543 % similar 4-Methylbenzenethiol106-45-643 % similar 4-Chlorophenol106-48-943 % similar

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

Same formula

2-Mercaptophenol1121-24-0 5-Methyl-2-thiophenecarboxaldehyde13679-70-4 3-Acetylthiophene1468-83-3 3-Methyl-2-thiophenecarboxaldehyde5834-16-2 2-Acetylthiophene88-15-3

Elsewhere

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