(5,5-dimethyl-4H-1,2-oxazol-3-yl) carbamimidothioate hydrochloride

Systemtic Name: (5,5-dimethyl-4H-1,2-oxazol-3-yl) carbamimidothioate hydrochloride Openeye Name: 2-(5,5-dimethyl-4H-isoxazol-3-yl)isothiourea hydrochloride CAS Name: carbamimidothioic acid (5,5-dimethyl-4H-isoxazol-3-yl) ester hydrochloride IUPAC Name: (5,5-dimethyl-4H-1,2-oxazol-3-yl) carbamimidothioate hydrochloride Traditional Name: 2-(5,5-dimethyl-2-isoxazolin-3-yl)isothiourea hydrochloride Formula: C6H12ClN3OS MolecularWeight: 209.69698

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NO1)SC(=N)N)C.Cl

Isomeric SMILES

CC1(CC(=NO1)SC(=N)N)C.Cl

InChI

InChI=1S/C6H11N3OS.ClH/c1-6(2)3-4(9-10-6)11-5(7)8;/h3H2,1-2H3,(H3,7,8);1H