2-(Carbamothioylamino)-4,6-dimethylnicotinic acid
[CAS# 806635-45-0]

Identification

• Name: 2-(Carbamothioylamino)-4,6-dimethylnicotinic acid
• Synonyms: 3-PYRIDINECARBOXYLICACID, 2-[(AMINOTHIOXOMETHYL)AMINO]-4,6-DIMETHYL-; 4,6-dimethyl-2-thioureidonicotinic acid
• Molecular Formula: C₉H₁₁N₃O₂S
• Molecular Weight: 225.27
• CAS Registry Number: 806635-45-0
• SMILES: Cc1cc(nc(c1C(=O)O)NC(=S)N)C
• InChI: 1S/C9H11N3O2S/c1-4-3-5(2)11-7(12-9(10)15)6(4)8(13)14/h3H,1-2H3,(H,13,14)(H3,10,11,12,15)
• InChIKey: QTGJTMKLMSGGHK-UHFFFAOYSA-N

Properties

• Density: 1.445g/cm³ (Cal.)
• Boiling point: 418.706°C at 760 mmHg (Cal.)
• Flash point: 207.026°C (Cal.)
• Refractive index: 1.717 (Cal.)