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822-82-2,MFCD08704791
Catalog No.:AA004ZX4

822-82-2 | Isothiazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$27.00   $19.00
- +
250mg
95%
in stock  
$54.00   $38.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004ZX4
Chemical Name:
Isothiazole-4-carboxylic acid
CAS Number:
822-82-2
Molecular Formula:
C4H3NO2S
Molecular Weight:
129.1371
MDL Number:
MFCD08704791
SMILES:
OC(=O)c1csnc1
Properties
Properties
 
BP:
175.8°C at 760 mmHg  
Form:
Solid  
MP:
162℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
106  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
8  
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:
0.5  

Literature

Title: Agonist lead identification for the high affinity niacin receptor GPR109a.

Journal: Bioorganic & medicinal chemistry letters 20070901

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SDS
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Tags:822-82-2 Molecular Formula|822-82-2 MDL|822-82-2 SMILES|822-82-2 Isothiazole-4-carboxylic acid
Catalog No.: AA004ZX4
822-82-2,MFCD08704791
822-82-2 | Isothiazole-4-carboxylic acid
Pack Size： 100mg
Purity： 95%
in stock
$27.00 $19.00
Pack Size： 250mg
Purity： 95%
in stock
$54.00 $38.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA004ZX4
Chemical Name: Isothiazole-4-carboxylic acid
CAS Number: 822-82-2
Molecular Formula: C4H3NO2S
Molecular Weight: 129.1371
MDL Number: MFCD08704791
SMILES: OC(=O)c1csnc1
Properties
BP: 175.8°C at 760 mmHg  
Form: Solid  
MP: 162℃  
Storage: Keep in dry area;2-8℃;  
Complexity: 106  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 8  
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: 0.5  
Literature fold

Title: Agonist lead identification for the high affinity niacin receptor GPR109a.

Journal: Bioorganic & medicinal chemistry letters20070901

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