Home Carboxys Isothiazole-4-carboxylic acid

Isothiazole-4-carboxylic acid

CAS No.:
822-82-2
Catalog Number:
AG004ZZW
Molecular Formula:
C4H3NO2S
Molecular Weight:
129.1371
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG004ZZW
Chemical Name:
Isothiazole-4-carboxylic acid
CAS Number:
822-82-2
Molecular Formula:
C4H3NO2S
Molecular Weight:
129.1371
MDL Number:
MFCD08704791
IUPAC Name:
1,2-thiazole-4-carboxylic acid
InChI:
InChI=1S/C4H3NO2S/c6-4(7)3-1-5-8-2-3/h1-2H,(H,6,7)
InChI Key:
PCXTYKGTWQCNJI-UHFFFAOYSA-N
SMILES:
OC(=O)c1csnc1
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.988g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
129.133g/mol
Monoisotopic Mass:
128.988g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Properties