Compound C9H7N3O5S2

2-oxo-2-[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]acetic acid

CAS: 104388-91-2

Molecular Formula	`C9H7N3O5S2`
Molecular Weight	301.3 g/mol
LogP	0.4
Topological Polar Surface Area	176.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	300.98273
Heavy Atoms	19
Complexity	489.0

Chemical Identifiers

CAS Number	104388-91-2
SMILES	`C1=CC2=C(C=C1S(=O)(=O)N)SC(=N2)NC(=O)C(=O)O`
InChIKey	`PPUXJBOTXZYULM-UHFFFAOYSA-N`

📖 Product Overview

Compound C9H7N3O5S2 (CAS: 104388-91-2) is a chemical compound with molecular formula C9H7N3O5S2 and molecular weight 301.3 g/mol. Its IUPAC systematic name is 2-oxo-2-[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]acetic acid. LogP 0.4 Topological Polar Surface Area 176.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 3 Exact Mass 300.98273 Heavy Atoms 19 Complexity 489.0 InChI Key: PPUXJBOTXZYULM-UHFFFAOYSA-N. SMILES: C1=CC2=C(C=C1S(=O)(=O)N)SC(=N2)NC(=O)C(=O)O.

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