chempirical

2,6-Dimethylbenzothiazole

C9H9NSCAS 2941-71-1163.24 g/mol

Open in Covalent MOL file
NS

Properties

Molecular formula
C9H9NS
Molar mass
163.24 g/mol
Exact mass
163.0456 Da
Boiling point
130–132 °C (at 20 Torr)
logP
2.91Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
2941-71-1
SMILES
Cc1ccc2nc(C)sc2c1
InChIKey
JEKCSLMWKCKDCC-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NS/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-5H,1-2H3

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Names and synonyms

2 names
  • Benzothiazole, 2,6-dimethyl-
  • NSC 93784

Work with 2,6-Dimethylbenzothiazole

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

2,5-Dimethylbenzothiazole95-26-172 % similar 6-Methoxy-2-methylbenzothiazole2941-72-259 % similar 2-Methylbenzothiazole120-75-257 % similar 2,5,6-Trimethylbenzothiazole5683-41-055 % similar 2-Methylnaphtho[2,3-D]thiazole6957-25-155 % similar 2-(4-Aminophenyl)-6-methylbenzothiazole92-36-453 % similar 5-Chloro-2-methylbenzothiazole1006-99-149 % similar 5-Amino-2-methylbenzothiazole13382-43-949 % similar

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

Same formula

2-Isothiocyanato-1,3-dimethylbenzene19241-16-8 4-Isothiocyanato-1,2-dimethylbenzene19241-17-9 1-Ethyl-2-isothiocyanatobenzene19241-19-1 3-Ethylphenyl isothiocyanate19241-20-4 Phenethyl isothiocyanate2257-09-2 (1-Isothiocyanatoethyl)benzene32393-32-1 1-(Isothiocyanatomethyl)-4-methylbenzene3694-46-0 4-(Methylthio)benzeneacetonitrile38746-92-8

Elsewhere

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