chempirical

Benzo[B]thiophene-2-methanol

C9H8OSCAS 17890-56-1164.22 g/mol

Open in Covalent MOL file
HOS
Alcohol

Properties

Molecular formula
C9H8OS
Molar mass
164.22 g/mol
Exact mass
164.0296 Da
Melting point
151–153 °C
Boiling point
108–110 °C (at 4 Torr)
logP
2.39Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
17890-56-1
SMILES
OCc1cc2ccccc2s1
InChIKey
SUHKSQTXXZQEBH-UHFFFAOYSA-N
InChI
InChI=1S/C9H8OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,10H,6H2

Weigh it out

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

Names and synonyms

9 names
  • 2-(Hydroxymethyl)benzo[b]thiophene
  • Benzothiophene-2-methanol
  • 2-(Hydroxymethyl)benzothiophene
  • Benzo[b]thiophen-2-ylmethanol
  • 1-Benzothien-2-ylmethanol
  • 1-(Benzo[b]thien-2-yl)methanol
  • (Benzothiophen-2-yl)methanol
  • Benz[b]thiophen-2-ylmethanol
  • 1-(Benzothiophen-2-yl)methanol

Work with Benzo[B]thiophene-2-methanol

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

2-Methylbenzothiophene1195-14-845 % similar Benzo[B]thiophene-2-carboxylic acid6314-28-942 % similar 9-Anthracenemethanol1468-95-741 % similar 2-Naphthalenemethanol1592-38-741 % similar 2-Thiophenemethanol636-72-639 % similar Benzo[b]thiophene-2-carboxylic hydrazide175135-07-638 % similar 2-Acetylbenzothiophene22720-75-838 % similar 2-Benzofuranmethanol55038-01-237 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook