4,5-Dimethoxy-2-Nitrobenzyl Carbamimidothioate Hydrobromide (1:1)
[CAS# 155614-05-4]

Identification

• Name: 4,5-Dimethoxy-2-Nitrobenzyl Carbamimidothioate Hydrobromide (1:1)
• Synonyms: [(4,5-dimethoxy-2-nitrophenyl)methyl]thiocarboxamidine, bromide; 2-(4,5-Dimethoxy-2-nitrobenzyl)-2-thiopseudourea hydrobromide; S- ISOTHIOURONIUMBROMIDE
• Molecular Formula: C₁₀H₁₄BrN₃O₄S
• Molecular Weight: 352.20
• CAS Registry Number: 155614-05-4
• SMILES: Br.[O-][N+](=O)c1c(cc(OC)c(OC)c1)CSC(=[N@H])N
• InChI: 1S/C10H13N3O4S.BrH/c1-16-8-3-6(5-18-10(11)12)7(13(14)15)4-9(8)17-2;/h3-4H,5H2,1-2H3,(H3,11,12);1H
• InChIKey: LOQPMIGKYIVTQT-UHFFFAOYSA-N

Properties

• Boiling point: 471.8°C at 760 mmHg (Cal.)
• Flash point: 239.1°C (Cal.)
• Refractive index: (Cal.)