2-Methylbenzothiophene

C9H8SCAS 1195-14-8148.22 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C9H8S
Molar mass
148.22 g/mol
Exact mass
148.0347 Da
Density
1.27 g/mL
Melting point
262 °C
Boiling point
105–108 °C (at 10 Torr)
logP
3.21Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1195-14-8
SMILES
Cc1cc2ccccc2s1
InChIKey
BLZKSRBAQDZAIX-UHFFFAOYSA-N
InChI
InChI=1S/C9H8S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzo[b]thiophene, 2-methyl-
  • 2-Methylbenzo[b]thiophene
  • 2-Methyl-1-benzothiophene
  • 2-Methylthianaphthene
  • NSC 18869
  • 2-Methylbenzo(b)thiophene

Work with 2-Methylbenzothiophene

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-Bromobenzo(b)thiophene5394-13-850 % similar 2-Acetylbenzothiophene22720-75-845 % similar Benzo[b]thiophene-2-methanol17890-56-145 % similar 1-Benzothiophene-2-carbaldehyde3541-37-545 % similar Benzo[B]thien-2-ylboronic acid98437-23-145 % similar Methyl benzo(b)thiophene-2-carboxylate22913-24-242 % similar Benzo[B]thiophene-2-carbonyl chloride39827-11-741 % similar Benzo[b]thiophene-2-carboxylic acid6314-28-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methylbenzo[b]thiophene14315-14-1 3-Methylbenzothiophene1455-18-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook