Compound C6H6N4O5S

4,5-dihydroxy-1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one

CAS: 72589-87-8

Molecular Formula	`C6H6N4O5S`
Molecular Weight	246.2 g/mol
LogP	-0.6
Topological Polar Surface Area	160.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	246.00589
Heavy Atoms	16
Complexity	323.0

Chemical Identifiers

CAS Number	72589-87-8
SMILES	`C1=C(SC(=N1)N2C(C(NC2=O)O)O)[N+](=O)[O-]`
InChIKey	`RPLQGEUBCBYNQA-UHFFFAOYSA-N`

📖 Product Overview

Compound C6H6N4O5S (CAS: 72589-87-8) is a chemical compound with molecular formula C6H6N4O5S and molecular weight 246.2 g/mol. Its IUPAC systematic name is 4,5-dihydroxy-1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one. LogP -0.6 Topological Polar Surface Area 160.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 1 Exact Mass 246.00589 Heavy Atoms 16 Complexity 323.0 InChI Key: RPLQGEUBCBYNQA-UHFFFAOYSA-N. SMILES: C1=C(SC(=N1)N2C(C(NC2=O)O)O)[N+](=O)[O-].

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