1-Isonicotinoyl(Thiosemicarbazide)
[CAS# 14397-24-1]

Identification

• Name: 1-Isonicotinoyl(Thiosemicarbazide)
• Synonyms: [[Oxo-(4-Pyridyl)Methyl]Amino]Thiourea; (Pyridin-4-Ylcarbonylamino)Thiourea; Nsc14593
• Molecular Formula: C₇H₈N₄OS
• Molecular Weight: 196.23
• CAS Registry Number: 14397-24-1
• SMILES: C1=C(C(NNC(N)=S)=O)C=CN=C1
• InChI: 1S/C7H8N4OS/c8-7(13)11-10-6(12)5-1-3-9-4-2-5/h1-4H,(H,10,12)(H3,8,11,13)
• InChIKey: VXVGIABASNIWKS-UHFFFAOYSA-N

Properties

• Density: 1.397g/cm³ (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