3-(Carbamothioylamino)-4-methylbenzoic acid
[CAS# 726190-35-8]

Identification

• Name: 3-(Carbamothioylamino)-4-methylbenzoic acid
• Synonyms: 4-methyl-3-thioureidobenzoic acid
• Molecular Formula: C₉H₁₀N₂O₂S
• Molecular Weight: 210.25
• CAS Registry Number: 726190-35-8
• SMILES: Cc1ccc(cc1NC(=S)N)C(=O)O
• InChI: 1S/C9H10N2O2S/c1-5-2-3-6(8(12)13)4-7(5)11-9(10)14/h2-4H,1H3,(H,12,13)(H3,10,11,14)
• InChIKey: HJRSPRPFDRBELB-UHFFFAOYSA-N

Properties

• Density: 1.437g/cm³ (Cal.)
• Boiling point: 405.743°C at 760 mmHg (Cal.)
• Flash point: 199.187°C (Cal.)
• Refractive index: 1.73 (Cal.)