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Home Carboxys 1,2,5-Thiadiazole-3-carboxylicacid,4,5-dihydro-4-oxo-(9CI)

1,2,5-Thiadiazole-3-carboxylicacid,4,5-dihydro-4-oxo-(9CI)

CAS No.:
45654-48-6
Catalog Number:
AG00E3BU
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00E3BU
Chemical Name:
1,2,5-Thiadiazole-3-carboxylicacid,4,5-dihydro-4-oxo-(9CI)
CAS Number:
45654-48-6
MDL Number:
MFCD18804666
IUPAC Name:
4-oxo-1,2,5-thiadiazole-3-carboxylic acid
InChI:
InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
InChI Key:
FVZITYNLUYJDOE-UHFFFAOYSA-N
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.979g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
146.12g/mol
Monoisotopic Mass:
145.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Design and synthesis of novel lactate dehydrogenase A inhibitors by fragment-based lead generation. Journal of medicinal chemistry 20120412
Discovery of N-hydroxyindole-based inhibitors of human lactate dehydrogenase isoform A (LDH-A) as starvation agents against cancer cells. Journal of medicinal chemistry 20110324
Properties