Benzothiazole

Title: Benzothiazole
CAS Registry Number: 95-16-9
Molecular Formula: C7H5NS
Molecular Weight: 135.19
Percent Composition: C 62.19%, H 3.73%, N 10.36%, S 23.72%
Literature References: Prepd from N,N-dimethylaniline and sulfur: Knowles, Watt, J. Org. Chem. 7, 56 (1942). Chemistry of benzothiazoles, their use as carbonyl equivalents and in carbon-carbon bond formation: E. J. Corey, D. L. Boger, Tetrahedron Lett. 1978, 5, 9, 13. Toxicity study: E. F. Domino et al., J. Pharmacol. Exp. Ther. 105, 486 (1952).
Properties: Liquid. Odor similar to that of quinoline. Volatile with steam. d420 1.246. bp765 227-228°; bp34 131°. nD20 1.6379. Slightly sol in water. Freely sol in alcohol, carbon disulfide. LD50 i.v. in mice: 95±3 mg/kg (Domino).
Boiling point: bp765 227-228°; bp34 131°
Index of refraction: nD20 1.6379
Density: d420 1.246
Toxicity data: LD50 i.v. in mice: 95±3 mg/kg (Domino)
Use: In organic synthesis.
Benzotrichloride Benzotrifluoride Benzoxiquine Benzoxonium Chloride Benzoyl Chloride

Benzothiazole
Benzothiazole numbering.png
Space filling model of benzothiazole Ball-and-stick model of benzothiazole
Identifiers
CAS number 95-16-9 YesY
PubChem 7222
ChemSpider 6952 YesY
UNII G5BW2593EP YesY
ChEBI CHEBI:45993 YesY
ChEMBL CHEMBL510309 YesY
Jmol-3D images Image 1
Properties
Molecular formula C7H5NS
Molar mass 135.19 g mol−1
Density 1.238 g/mL
Melting point 2 °C; 36 °F; 275 K
Boiling point 227 to 228 °C; 441 to 442 °F; 500 to 501 K
Supplementary data page
Structure and
properties
n, εr, etc.
Thermodynamic
data
Phase behaviour
Solid, liquid, gas
Spectral data UV, IR, NMR, MS
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Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
Infobox references

Benzothiazole is an aromatic heterocyclic compound with the chemical formula C
7
H
5
NS
. It is colorless, slightly viscous liquid. Although the parent compound, benzothiazole is not widely used, many of its derivatives are found in commercial products or in nature. A derivative of benzothiazole is the light-emitting component of luciferin, found in fireflies.