chempirical

5-Methylbenzo[B]thiophene

C9H8SCAS 14315-14-1148.22 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C9H8S
Molar mass
148.22 g/mol
Exact mass
148.0347 Da
Melting point
20.5 °C
Boiling point
105–110 °C (at 3 Torr)
logP
3.21Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
14315-14-1
SMILES
Cc1ccc2sccc2c1
InChIKey
DOHZWDWNQFZIKH-UHFFFAOYSA-N
InChI
InChI=1S/C9H8S/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzo[b]thiophene, 5-methyl-
  • 5-Methylbenzothiophene
  • 5-Methyl-1-benzothiophene

Work with 5-Methylbenzo[B]thiophene

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

5-Chlorobenzo[B]thiophene20532-33-652 % similar 2,6-Dimethylnaphthalene581-42-050 % similar 2,8-Dimethyldibenzothiophene1207-15-446 % similar Benzothiophene95-15-844 % similar 2-Methylnaphthalene91-57-643 % similar 3,6-Dimethylphenanthrene1576-67-641 % similar 5-Methylindole614-96-039 % similar 2,5-Dimethylbenzothiazole95-26-138 % similar

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

Same formula

2-Methylbenzothiophene1195-14-8 3-Methylbenzothiophene1455-18-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook