(2E)-2-(Carbamothioylhydrazono)propanoic acid
[CAS# 732221-48-6]

Identification

• Name: (2E)-2-(Carbamothioylhydrazono)propanoic acid
• Synonyms: (2E)-2-(2-carbamothioylhydrazinylidene)propanoic acid; (2E)-3-[(aminothioxomethyl)amino]-2-methyl-3-azaprop-2-enoic acid; (E)-2-(2-carbamothioylhydrazono)propanoic acid
• Molecular Formula: C₄H₇N₃O₂S
• Molecular Weight: 161.18
• CAS Registry Number: 732221-48-6
• SMILES: C/C(=N\NC(=S)N)/C(=O)O
• InChI: 1S/C4H7N3O2S/c1-2(3(8)9)6-7-4(5)10/h1H3,(H,8,9)(H3,5,7,10)/b6-2+
• InChIKey: KQAYLOOXVDSLRI-QHHAFSJGSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 335.7±25.0°C at 760 mmHg (Cal.)
• Flash point: 156.9±23.2°C (Cal.)
• Refractive index: 1.637 (Cal.)

References

• (1): Dimitra Kovala-Demertzi, Joanna Wiecek, John C. Plakatouras and Zbigniew Ciunik. Self-assembly of dialkyltin(IV) moieties and a thiosemicarbone to a trinuclear macrocycle and the unprecedented formation of two pseudo-polymorphs with different cavities, CrystEngComm, 2008, 10, 1291.