Compound C14H21N7O6S

tert-butyl-[N-(2-methyl-4-pyridinyl)-C-(1,3-thiazol-2-ylazaniumyl)carbonimidoyl]azanium dinitrate

CAS: 72041-85-1

Molecular Formula	`C14H21N7O6S`
Molecular Weight	415.43 g/mol
Topological Polar Surface Area	225.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	415.1274
Heavy Atoms	28
Complexity	358.0

Chemical Identifiers

CAS Number	72041-85-1
SMILES	`CC1=NC=CC(=C1)N=C([NH2+]C2=NC=CS2)[NH2+]C(C)(C)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]`
InChIKey	`AFWGINWQLXVKHP-UHFFFAOYSA-P`

📖 Product Overview

Compound C14H21N7O6S (CAS: 72041-85-1) is a chemical compound with molecular formula C14H21N7O6S and molecular weight 415.43 g/mol. Its IUPAC systematic name is tert-butyl-[N-(2-methyl-4-pyridinyl)-C-(1,3-thiazol-2-ylazaniumyl)carbonimidoyl]azanium dinitrate. Topological Polar Surface Area 225.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 10 Rotatable Bonds 5 Exact Mass 415.1274 Heavy Atoms 28 Complexity 358.0 InChI Key: AFWGINWQLXVKHP-UHFFFAOYSA-P. SMILES: CC1=NC=CC(=C1)N=C([NH2+]C2=NC=CS2)[NH2+]C(C)(C)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].

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