chempirical

2-Mercaptophenol

C6H6OSCAS 1121-24-0126.17 g/mol

Open in Covalent MOL file
HOHS
PhenolThiol

Properties

Molecular formula
C6H6OS
Molar mass
126.17 g/mol
Exact mass
126.0139 Da
Melting point
5.5 °C
Boiling point
217 °C
logP
1.68Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
1121-24-0
SMILES
Oc1ccccc1S
InChIKey
VMKYTRPNOVFCGZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

Weigh it out

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

Names and synonyms

8 names
  • Phenol, 2-mercapto-
  • Phenol, o-mercapto-
  • o-Mercaptophenol
  • 2-Hydroxythiophenol
  • 2-Hydroxybenzenethiol
  • o-Hydroxybenzenethiol
  • o-Hydroxythiophenol
  • 2-Sulfanylphenol

Work with 2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Catechol120-80-956 % similar 2,2'-Biphenol1806-29-748 % similar 2-Bromothiophenol6320-02-143 % similar 2-Mercaptobenzenemethanol4521-31-742 % similar 2-Methylbenzenethiol137-06-442 % similar 2-Aminothiophenol137-07-542 % similar 2,2′-Dihydroxyazobenzene2050-14-842 % similar 2-Fluorothiophenol2557-78-042 % similar

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

Same formula

5-Methyl-2-thiophenecarboxaldehyde13679-70-4 3-Acetylthiophene1468-83-3 3-Methyl-2-thiophenecarboxaldehyde5834-16-2 4-Mercaptophenol637-89-8 2-Acetylthiophene88-15-3

Elsewhere

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