4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid

CAS: 95896-28-9

Molecular Formula	`C6H7N3O6S2`
Molecular Weight	281.3 g/mol
LogP	-1.7
Topological Polar Surface Area	183.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	280.97763
Heavy Atoms	17
Complexity	404.0

Chemical Identifiers

CAS Number	95896-28-9
SMILES	`C1=NN=C(S1)NC(=O)CC(C(=O)O)S(=O)(=O)O`
InChIKey	`QHYFAPXQQNWKPA-UHFFFAOYSA-N`

📖 Product Overview

4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid (CAS: 95896-28-9) is a chemical compound with molecular formula C6H7N3O6S2 and molecular weight 281.3 g/mol. Its IUPAC systematic name is 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid. LogP -1.7 Topological Polar Surface Area 183.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 5 Exact Mass 280.97763 Heavy Atoms 17 Complexity 404.0 InChI Key: QHYFAPXQQNWKPA-UHFFFAOYSA-N. SMILES: C1=NN=C(S1)NC(=O)CC(C(=O)O)S(=O)(=O)O.

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