[2-(4-Methoxybenzylidene)Hydrazono](Amino)Methanethiol
[CAS# 4334-74-1]

Identification

• Name: [2-(4-Methoxybenzylidene)Hydrazono](Amino)Methanethiol
• Synonyms: [(4-Methoxyphenyl)Methyleneamino]Thiourea; [(4-Methoxybenzylidene)Amino]Thiourea; Mls000779407
• Molecular Formula: C₉H₁₁N₃OS
• Molecular Weight: 209.27
• CAS Registry Number: 4334-74-1
• SMILES: C1=C(C=CC(=C1)OC)\C=N\NC(N)=S
• InChI: 1S/C9H11N3OS/c1-13-8-4-2-7(3-5-8)6-11-12-9(10)14/h2-6H,1H3,(H3,10,12,14)/b11-6+
• InChIKey: TUNWURMRBJWUFJ-IZZDOVSWSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 354.64°C at 760 mmHg (Cal.)
• Flash point: 168.281°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