chempirical

4-Hydroxybenzothiophene

C8H6OSCAS 3610-02-4150.19 g/mol

Open in Covalent MOL file
OHS
Phenol

Properties

Molecular formula
C8H6OS
Molar mass
150.19 g/mol
Exact mass
150.0139 Da
Melting point
79.8 °C
logP
2.61Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
3610-02-4
SMILES
Oc1cccc2sccc12
InChIKey
BMRZGYNNZTVECK-UHFFFAOYSA-N
InChI
InChI=1S/C8H6OS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,9H

Weigh it out

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

Names and synonyms

7 names
  • Benzo[b]thiophene-4-ol
  • 4-Hydroxybenzo[b]thiophene
  • 4-Hydroxy-1-thiaindene
  • 4-Hydroxy-1-benzothiophene
  • Benzothiophen-4-ol
  • 1-Benzothiophen-4-ol
  • Benzo[b]thiophen-4-ol

Work with 4-Hydroxybenzothiophene

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

4-Bromobenzo[B]thiophene5118-13-854 % similar 4-Chlorobenzo[B]thiophene66490-33-354 % similar 1,5-Dihydroxynaphthalene83-56-750 % similar 1-Naphthol90-15-344 % similar 2-Aminoresorcinol3163-15-341 % similar 1,6-Dihydroxynaphthalene575-44-041 % similar 5-Hydroxyquinoline578-67-641 % similar 4-Chlorothieno[3,2-C]pyridine27685-94-539 % similar

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

Same formula

Benzo[B]thiophen-2(3H)-one496-31-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook