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(2-BENZOTHIAZOLYLTHIO)ACETIC ACID

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(2-BENZOTHIAZOLYLTHIO)ACETIC ACID Basic information

Product Name:
(2-BENZOTHIAZOLYLTHIO)ACETIC ACID
Synonyms:
  • (2-benzothiazolylthio)-aceticaci
  • 2-(carboxymethylthio)benzothiazole
  • AKOS BB-8673
  • AKOS BBS-00002482
  • OTAVA-BB BB0114090045
  • (2-BENZOTHIAZOLYLTHIO)ACETIC ACID
  • (1,3-BENZOTHIAZOL-2-YLTHIO)ACETIC ACID
  • BUTTPARK 122\02-97
CAS:
6295-57-4
MF:
C9H7NO2S2
MW:
225.29
EINECS:
228-565-0
Product Categories:
  • Aliphatics
  • Carboxylic Acids
  • BENZOTHIAZOLE
Mol File:
6295-57-4.mol
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(2-BENZOTHIAZOLYLTHIO)ACETIC ACID Chemical Properties

Melting point:
159°C
Boiling point:
423.4±47.0 °C(Predicted)
Density 
1.4374 (rough estimate)
vapor pressure 
0.001Pa at 20℃
refractive index 
1.5364 (estimate)
storage temp. 
Sealed in dry,Room Temperature
solubility 
Insoluble in water
form 
powder to crystal
pka
3.23±0.10(Predicted)
color 
White to Light yellow
Water Solubility 
133mg/L at 20℃
InChI
InChI=1S/C9H7NO2S2/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)
InChIKey
ZZUQWNYNSKJLPI-UHFFFAOYSA-N
SMILES
C(O)(=O)CSC1=NC2=CC=CC=C2S1
LogP
1.6 at 20℃
CAS DataBase Reference
6295-57-4(CAS DataBase Reference)
EPA Substance Registry System
Acetic acid, (2-benzothiazolylthio)- (6295-57-4)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36/37/39
HazardClass 
IRRITANT
HS Code 
2934208090
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(2-BENZOTHIAZOLYLTHIO)ACETIC ACID Usage And Synthesis

Uses

(1,3-benzothiazol-2-ylthio)acetic acid is a useful research chemical.

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