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Home Carboxes 3622-35-3
3622-35-3,MFCD00111651
Catalog No.:AA0034FA

3622-35-3 | Benzothiazole-6-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$8.00   $6.00
- +
1g
95%
in stock  
$21.00   $15.00
- +
5g
95%
in stock  
$99.00   $69.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0034FA
Chemical Name:
Benzothiazole-6-carboxylic acid
CAS Number:
3622-35-3
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
MDL Number:
MFCD00111651
SMILES:
OC(=O)c1ccc2c(c1)scn2
Properties
Properties
 
BP:
387.7°C at 760 mmHg  
Form:
Solid  
MP:
245-251 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
198  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.5  

Literature

Title: Methyl 2-[2-(tert-but-oxy-carbonyl-amino)-1,3-benzothia-zole-6-carboxamido]-acetate.

Journal: Acta crystallographica. Section E, Structure reports online 20120101

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