chempirical

Benzothiazole

C7H5NSCAS 95-16-9135.18 g/mol

Open in Covalent MOL file
SN

Properties

Molecular formula
C7H5NS
Molar mass
135.18 g/mol
Exact mass
135.0143 Da
Density
1.246 g/mL (at 20 °C)
Melting point
2 °C
Boiling point
227–228 °C (at 765 Torr)
logP
2.30Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
95-16-9
SMILES
c1ccc2scnc2c1
InChIKey
IOJUPLGTWVMSFF-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

Weigh it out

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

Names and synonyms

6 names
  • Benzosulfonazole
  • 1-Thia-3-azaindene
  • Vangard BT
  • NSC 8040
  • Benzo[d]thiazole
  • 1,3-Benzothiazole

Work with Benzothiazole

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-Benzothiazolamine1123-93-948 % similar 6-Benzothiazolamine533-30-248 % similar 5-Bromobenzothiazole768-11-648 % similar 7-Bromobenzothiazole767-70-446 % similar 6-Methoxybenzothiazole2942-13-444 % similar 6-Nitrobenzothiazole2942-06-540 % similar 6-Benzothiazolecarboxylic acid3622-35-340 % similar Quinoxaline91-19-039 % similar

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

Same formula

Phenyl isothiocyanate103-72-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia