Sodium 3-(3-allyl-S-cuproisothioureido)benzoate
[CAS# 5965-40-2]

Identification

• Name: Sodium 3-(3-allyl-S-cuproisothioureido)benzoate
• Synonyms: Cuprous Sodium 3-[(N-Allyl-C-Sulfido-Carbonimidoyl)Amino]Benzoate; Cuprous Sodium 3-[(Allylimino-Sulfidomethyl)Amino]Benzoate; Sodium; Copper(+1) Cation; 3-[(N-Prop-2-Enyl-C-Sulfido-Carbonimidoyl)Amino]Benzoate
• Molecular Formula: C₁₁H₁₀CuN₂NaO₂S
• Molecular Weight: 320.81
• CAS Registry Number: 5965-40-2
• SMILES: [Cu+].C1=C(NC([N-]CC=C)=S)C=CC=C1C(=O)[O-].[Na+]
• InChI: 1S/C11H12N2O2S.Cu.Na/c1-2-6-12-11(16)13-9-5-3-4-8(7-9)10(14)15;;/h2-5,7H,1,6H2,(H3,12,13,14,15,16);;/q;2*+1/p-2
• InChIKey: YDUVCZIUYAFEPZ-UHFFFAOYSA-L