chempirical

3-Hydroxybenzenethiol

C6H6OSCAS 40248-84-8126.17 g/mol

Open in Covalent MOL file
HSOH
PhenolThiol

Properties

Molecular formula
C6H6OS
Molar mass
126.17 g/mol
Exact mass
126.0139 Da
logP
1.68Crippen estimate
Polar surface area
20.2 Ų
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
40248-84-8
SMILES
C1=CC(=CC(=C1)S)O
InChIKey
DOFIAZGYBIBEGI-UHFFFAOYSA-N
InChI
InChI=1S/C6H6OS/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

Weigh it out

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

Names and synonyms

1 names
  • 3-Hydroxythiophenol

Work with 3-Hydroxybenzenethiol

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

Resorcinol108-46-360 % similar 1,3-Benzenedithiol626-04-060 % similar 3,3'-Biphenyldiol612-76-052 % similar 3-Chlorophenol108-43-048 % similar 3-Chlorothiophenol2037-31-248 % similar 3-Fluorothiophenol2557-77-948 % similar 3-Fluorophenol372-20-348 % similar M-Cresol108-39-446 % 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 4-Mercaptophenol637-89-8 2-Acetylthiophene88-15-3

Elsewhere

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