chempirical

2-Methylbenzoselenazole

C8H7NSeCAS 2818-88-4196.12 g/mol

Open in Covalent MOL file
NSe

Properties

Molecular formula
C8H7NSe
Molar mass
196.12 g/mol
Exact mass
196.9744 Da
Melting point
32–33 °C
Boiling point
140 °C (at 51 Torr)
logP
1.60Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
2818-88-4
SMILES
Cc1nc2ccccc2[se]1
InChIKey
VYFYELQQECQPHU-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NSe/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3

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

Names and synonyms

3 names
  • Benzoselenazole, 2-methyl-
  • NSC 379483
  • 2-Methyl-1,3-benzoselenazole

Work with 2-Methylbenzoselenazole

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-Methoxy-2-methylbenzoselenazole2946-17-052 % similar 2,3-Dimethylquinoxaline2379-55-741 % similar Phenazine92-82-038 % similar 9-Methylacridine611-64-337 % similar 2-Methylquinoxaline7251-61-834 % similar Quinaldine91-63-434 % similar 2-Methylbenzothiazole120-75-233 % similar 2,1,3-Benzoselenadiazole273-15-433 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook