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Home Carboxys 1,2,3-Thiadiazole-4-carboxylic acid

1,2,3-Thiadiazole-4-carboxylic acid

CAS No.:
4100-13-4
Catalog Number:
AG003DAP
Molecular Formula:
C3H2N2O2S
Molecular Weight:
130.1252
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$47
- +
1g
98%(HPLC)
In Stock USA
United States
$101
- +
5g
98%(HPLC)
In Stock USA
United States
$391
- +
10g
98%(HPLC)
In Stock USA
United States
$682
- +
25g
98%(HPLC)
In Stock USA
United States
$1478
- +
Product Description
Catalog Number:
AG003DAP
Chemical Name:
1,2,3-Thiadiazole-4-carboxylic acid
CAS Number:
4100-13-4
Molecular Formula:
C3H2N2O2S
Molecular Weight:
130.1252
MDL Number:
MFCD00052099
IUPAC Name:
thiadiazole-4-carboxylic acid
InChI:
InChI=1S/C3H2N2O2S/c6-3(7)2-1-8-5-4-2/h1H,(H,6,7)
InChI Key:
HJZYBDPHAHGHAZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1csnn1
NSC Number:
521674
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.984g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.121g/mol
Monoisotopic Mass:
129.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Attempted reduction of 1,2,3-thiadiazole-4-carboxylates with samarium/iodine in methanol. Unexpected ring enlargement to 1,2,5-trithiepan-4,6-dicarboxylates. Organic & biomolecular chemistry 20041007
Properties