Benzothiazole (data page)

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The complete data for Benzothiazole

Image:Hight_setter_449px.gifChemical structure of Benzothiazole		 General information

Chemical formula: C7H5NS 
Molecular mass: 139.19 g·mol-1
Systematic name:
1,3-benzothiazole
Synonyms:
1-thia-3-azaindene
Benzosulfonazole
Database data
SMILES: C1(C=CC=C2)=C2SC=N1
InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
 ATC: N/A  CAS: 95-16-9  DrugBank: N/A  EINECS: 202-396-2  PubChem: 7222
Physical properties
Structure
 Crystal data
 Spectral data
UV-Vis
 IR
 NMR
 MS
Phase behavior
 Solid properties
Tm: 2 °C (275 K)
 Liquid properties
ρliquid: 1.23 g.cm-3
Tb: 231 °C
 Gas properties
Hazard properties
MSDS N/A Main hazards:
- N/A
 NFPA 704

 Flash point
- 112
 R/S statement
R: N/A
S: N/A
 RTECS number:
N/A
Chemical properties
XLogP: 1.776 pI: ? pKa: ? Tautomers: ? Hydrogen Bond: donor - 0;   acceptor - 1;
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
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