chempirical

2,5-Dimethylbenzothiazole

C9H9NSCAS 95-26-1163.24 g/mol

Open in Covalent MOL file
SN

Properties

Molecular formula
C9H9NS
Molar mass
163.24 g/mol
Exact mass
163.0456 Da
Melting point
172–173 °C
Boiling point
142–146 °C (at 10 Torr)
logP
2.91Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
95-26-1
SMILES
Cc1ccc2sc(C)nc2c1
InChIKey
XHANCLXYCNTZMM-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NS/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

2 names
  • Benzothiazole, 2,5-dimethyl-
  • 2,5-Dimethyl-1,3-benzothiazole

Work with 2,5-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

5-Chloro-2-methylbenzothiazole1006-99-163 % similar 5-Amino-2-methylbenzothiazole13382-43-963 % similar 5-Fluoro-2-methylbenzothiazole399-75-763 % similar 5-Bromo-2-methylbenzothiazole63837-11-663 % similar 2-Methyl-5-phenylbenzothiazole71215-89-961 % similar 5-Methoxy-2-methylbenzothiazole2941-69-759 % similar 2-Methylbenzothiazole120-75-257 % similar 2,5,6-Trimethylbenzothiazole5683-41-055 % 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 2,6-Dimethylbenzothiazole2941-71-1 (1-Isothiocyanatoethyl)benzene32393-32-1 1-(Isothiocyanatomethyl)-4-methylbenzene3694-46-0

Elsewhere

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