chempirical

2-Methylnaphtho[1,2-D]thiazole

C12H9NSCAS 2682-45-3199.27 g/mol

Open in Covalent MOL file
NS

Properties

Molecular formula
C12H9NS
Molar mass
199.27 g/mol
Exact mass
199.0456 Da
Melting point
95–97 °C
Boiling point
165–168 °C (at 5.5 Torr)
logP
3.76Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
2682-45-3
SMILES
Cc1nc2c(ccc3ccccc32)s1
InChIKey
OUXMJRMYZCEVKO-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NS/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2-7H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Naphtho[1,2-d]thiazole, 2-methyl-
  • 2-Methyl-β-naphthothiazole
  • 2-Methyl-β-naphthiazole
  • NSC 332548
  • 2-Methyl-α-naphthothiazole
  • 2-Methylnaphtho[1,2-d][1,3]thiazole

Work with 2-Methylnaphtho[1,2-D]thiazole

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-Methylbenzothiazole120-75-247 % similar 2-Methyl-5-phenylbenzothiazole71215-89-944 % similar 2-Methylnaphth[1,2-D]oxazole85-15-444 % similar Benzo[B]naphtho[1,2-D]thiophene205-43-642 % similar Benzo[H]quinoline230-27-340 % similar 2,5-Dimethylbenzothiazole95-26-139 % similar Phenanthrene85-01-838 % similar 2,5,6-Trimethylbenzothiazole5683-41-038 % similar

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

Same formula

3-Dibenzothiophenamine25288-76-0 2-Methylnaphtho[2,3-D]thiazole6957-25-1 Phenothiazine92-84-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook