[2-(4-Nitrobenzylidene)Hydrazono](Amino)Methanethiol
[CAS# 5470-48-4]

Identification

• Name: [2-(4-Nitrobenzylidene)Hydrazono](Amino)Methanethiol
• Synonyms: [(4-Nitrophenyl)Methyleneamino]Thiourea; [(4-Nitrobenzylidene)Amino]Thiourea; 4-Nitrobenzaldehyde Thiosemicarbazone
• Molecular Formula: C₈H₈N₄O₂S
• Molecular Weight: 224.24
• CAS Registry Number: 5470-48-4
• SMILES: C1=C(C=CC(=C1)[N+](=O)[O-])\C=N\NC(N)=S
• InChI: 1S/C8H8N4O2S/c9-8(15)11-10-5-6-1-3-7(4-2-6)12(13)14/h1-5H,(H3,9,11,15)/b10-5+
• InChIKey: HSDCBIHJEGDMDO-BJMVGYQFSA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Boiling point: 405.61°C at 760 mmHg (Cal.)
• Flash point: 199.106°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370