2-Methylbenzothiazole
Properties
- Molecular formula
- C8H7NS
- Molar mass
- 149.21 g/mol
- Exact mass
- 149.0299 Da
- Density
- 1.17 g/mL
- Melting point
- 14 °C
- Boiling point
- 238 °C
- logP
- 2.60Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Not classified as hazardous under GHS by 40 ECHA notifiers. Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
120-75-2SMILES
Cc1nc2ccccc2s1InChIKey
DXYYSGDWQCSKKO-UHFFFAOYSA-NInChI
InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Benzothiazole, 2-methyl-
- NSC 3825
- 2-Methyl-1,3-benzothiazole
- 2-Methylbenzo[d]thiazole
Work with 2-Methylbenzothiazole
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Methyl-5-phenylbenzothiazole71215-89-961 % similar
2-Methylnaphtho[2,3-d]thiazole6957-25-160 % similar
2,6-Dimethylbenzothiazole2941-71-157 % similar
2,5-Dimethylbenzothiazole95-26-157 % similar
5-Chloro-2-methylbenzothiazole1006-99-153 % similar
5-Amino-2-methylbenzothiazole13382-43-953 % similar
2-Methyl-1,3-benzothiazol-6-amine2941-62-053 % similar
5-Fluoro-2-methylbenzothiazole399-75-753 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds