chempirical

2-Phenylbenzothiazole

C13H9NSCAS 883-93-2211.28 g/mol

Open in Covalent MOL file
NS

Properties

Molecular formula
C13H9NS
Molar mass
211.28 g/mol
Exact mass
211.0456 Da
Melting point
115 °C
Boiling point
371 °C
logP
3.96Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
883-93-2
SMILES
c1ccc(-c2nc3ccccc3s2)cc1
InChIKey
XBHOUXSGHYZCNH-UHFFFAOYSA-N
InChI
InChI=1S/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H

Weigh it out

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

Names and synonyms

5 names
  • Benzothiazole, 2-phenyl-
  • NSC 1854
  • NSC 2034
  • 2-Phenylbenzo[d]thiazole
  • 2-Phenyl-1,3-benzothiazole

Work with 2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(4-Bromophenyl)benzothiazole19654-19-470 % similar 2-(4-Aminophenyl)benzothiazole6278-73-570 % similar 2-(2′-Hydroxyphenyl)benzothiazole3411-95-855 % similar 2-Fluorobenzothiazole1123-98-450 % similar 2-Methylbenzothiazole120-75-250 % similar Accelerator dm120-78-550 % similar Mercaptobenzothiazole149-30-450 % similar 2,2′-Methylenebis[benzothiazole]1945-78-450 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook