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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
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
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  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
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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SDS
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Tags:3622-35-3 Molecular Formula|3622-35-3 MDL|3622-35-3 SMILES|3622-35-3 Benzothiazole-6-carboxylic acid
Catalog No.: AA0034FA
3622-35-3,MFCD00111651
3622-35-3 | Benzothiazole-6-carboxylic acid
Pack Size： 250mg
Purity： 95%
in stock
$8.00 $6.00
Pack Size： 1g
Purity： 95%
in stock
$21.00 $15.00
Pack Size： 5g
Purity： 95%
in stock
$99.00 $69.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
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
BP: 387.7°C at 760 mmHg  
Form: Solid  
MP: 245-251 °C(lit.)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 198  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
Literature fold

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

Journal: Acta crystallographica. Section E, Structure reports online20120101

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