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Benzothiazole (data page)



The complete data for Benzothiazole

General information

Chemical formula: C7H5NS 
Molar 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
Critical point: 4.8 M Pa
Solid properties
Tm: 2 °C (275 K)
Liquid properties
ρliquid: 1.23 g.cm-3
Tb: 231 °C
Gas properties
Hazard properties
MSDS N/AMain hazards:
- N/A
NFPA 704
Flash point
- 112
 R/S statement
R: N/A
S: N/A
RTECS number:
N/A
Chemical properties
XLogP: 1.776pI: ?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)
 
This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "Benzothiazole_(data_page)". A list of authors is available in Wikipedia.
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