3-(5-Nitrofurfurylidene)Dithiocarbazic Acid Methyl Ester
[CAS# 5016-62-6]

Identification

• Name: 3-(5-Nitrofurfurylidene)Dithiocarbazic Acid Methyl Ester
• Synonyms: Methyl [(N'e)-N'-[(5-Nitro-2-Furyl)Methylene]Hydrazino]Methanedithioate; [(N'e)-N'-[(5-Nitro-2-Furyl)Methylene]Hydrazino]Methanedithioic Acid Methyl Ester; 5-17-09-00339 (Beilstein Handbook Reference)
• Molecular Formula: C₇H₇N₃O₃S₂
• Molecular Weight: 245.27
• CAS Registry Number: 5016-62-6
• SMILES: C1=C(OC(=C1)/C=N/NC(SC)=S)[N+]([O-])=O
• InChI: 1S/C7H7N3O3S2/c1-15-7(14)9-8-4-5-2-3-6(13-5)10(11)12/h2-4H,1H3,(H,9,14)/b8-4+
• InChIKey: NTPNGNSTFXJKBZ-XBXARRHUSA-N

Properties

• Density: 1.529g/cm³ (Cal.)
• Boiling point: 381.006°C at 760 mmHg (Cal.)
• Flash point: 184.226°C (Cal.)