chempirical

2,5,6-Trimethylbenzothiazole

C10H11NSCAS 5683-41-0177.26 g/mol

Open in Covalent MOL file
NS

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

Identifiers

CAS number
5683-41-0
SMILES
Cc1nc2cc(C)c(C)cc2s1
InChIKey
ZZLZXZFVVOXVRG-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NS/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3

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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

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-Methylnaphtho[2,3-D]thiazole6957-25-158 % similar 2,6-Dimethylbenzothiazole2941-71-155 % similar 2,5-Dimethylbenzothiazole95-26-155 % similar 5-Amino-2-methylbenzothiazole13382-43-952 % similar 5-Fluoro-2-methylbenzothiazole399-75-752 % similar 5-Bromo-2-methylbenzothiazole63837-11-652 % similar 2-Methylbenzothiazole120-75-250 % similar 2-Methyl-5-phenylbenzothiazole71215-89-950 % similar

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

Same formula

3-Phenylpropyl isothiocyanate2627-27-2

Elsewhere

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