Compound C13H17N3O4S

3-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]propylazanium;oxalate

CAS: 24863-38-5

Molecular Formula	`C13H17N3O4S`
Molecular Weight	311.36 g/mol
Topological Polar Surface Area	153.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	311.09396
Heavy Atoms	21
Complexity	261.0

Chemical Identifiers

CAS Number	24863-38-5
SMILES	`C[N+]1=C(NC2=CC=CC=C21)SCCC[NH3+].C(=O)(C(=O)[O-])[O-]`
InChIKey	`GHRUHKMJSODQEL-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H17N3O4S (CAS: 24863-38-5) is a chemical compound with molecular formula C13H17N3O4S and molecular weight 311.36 g/mol. Its IUPAC systematic name is 3-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]propylazanium;oxalate. Topological Polar Surface Area 153.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 311.09396 Heavy Atoms 21 Complexity 261.0 InChI Key: GHRUHKMJSODQEL-UHFFFAOYSA-N. SMILES: C[N+]1=C(NC2=CC=CC=C21)SCCC[NH3+].C(=O)(C(=O)[O-])[O-].

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