2,5,6-Trimethylbenzothiazole
Properties
- Molecular formula
- C10H11NS
- Molar mass
- 177.26 g/mol
- Exact mass
- 177.0612 Da
- Melting point
- 85–86 °C
- Boiling point
- 130–143 °C (at 7 Torr)
- logP
- 3.22Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
5683-41-0SMILES
Cc1nc2cc(C)c(C)cc2s1InChIKey
ZZLZXZFVVOXVRG-UHFFFAOYSA-NInChI
InChI=1S/C10H11NS/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzothiazole, 2,5,6-trimethyl-
- 2,5,6-Trimethyl 1,3-benzothiazole
- 2,5,6-Trimethylbenzo[d]thiazole
Work with 2,5,6-Trimethylbenzothiazole
Similar compounds
2-Methylnaphtho[2,3-d]thiazole6957-25-158 % similar
2,6-Dimethylbenzothiazole2941-71-155 % similar
2,5-Dimethylbenzothiazole95-26-155 % similar
5-Chloro-2-methylbenzothiazole1006-99-152 % similar
5-Amino-2-methylbenzothiazole13382-43-952 % similar
2-Methyl-1,3-benzothiazol-6-amine2941-62-052 % similar
5-Fluoro-2-methylbenzothiazole399-75-752 % similar
5-Bromo-2-methylbenzothiazole63837-11-652 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.