chempirical

2-Methyl-5-phenylbenzothiazole

C14H11NSCAS 71215-89-9225.31 g/mol

Open in Covalent MOL file
NS

Properties

Molecular formula
C14H11NS
Molar mass
225.31 g/mol
Exact mass
225.0612 Da
Melting point
89 °C
Boiling point
209–210 °C (at 8 Torr)
logP
4.27Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
71215-89-9
SMILES
Cc1nc2cc(-c3ccccc3)ccc2s1
InChIKey
KUZZADDAFBFKBN-UHFFFAOYSA-N
InChI
InChI=1S/C14H11NS/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3

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Names and synonyms

2 names
  • Benzothiazole, 2-methyl-5-phenyl-
  • 2-Methyl-5-phenyl-1,3-benzothiazole

Work with 2-Methyl-5-phenylbenzothiazole

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-Methylbenzothiazole120-75-261 % similar 2,5-Dimethylbenzothiazole95-26-161 % similar 2-Methylnaphtho[2,3-D]thiazole6957-25-159 % similar 5-Amino-2-methylbenzothiazole13382-43-957 % similar 5-Fluoro-2-methylbenzothiazole399-75-757 % similar 5-Bromo-2-methylbenzothiazole63837-11-657 % similar 5-Methoxy-2-methylbenzothiazole2941-69-754 % similar 2,5,6-Trimethylbenzothiazole5683-41-050 % similar

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

Elsewhere

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