1-Methyl-5-Sulfanyl-1H-1,2,3-Triazole-4-Carbothioamide
[CAS# 100097-69-6]

Identification

• Name: 1-Methyl-5-Sulfanyl-1H-1,2,3-Triazole-4-Carbothioamide
• Synonyms: 1-methyl-5-mercapto-1,2,3-triazole-4-thiocarboxamide; 5-mercapto-1-methyl-1H-1,2,3-triazole-4-carbothioamide
• Molecular Formula: C₄H₆N₄S₂
• Molecular Weight: 174.25
• CAS Registry Number: 100097-69-6
• SMILES: CN1C(=C(N=N1)C(=S)N)S
• InChI: 1S/C4H6N4S2/c1-8-4(10)2(3(5)9)6-7-8/h10H,1H3,(H2,5,9)
• InChIKey: USDXPZKFAQJMCG-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 385.3±52.0°C at 760 mmHg (Cal.)
• Flash point: 186.8±30.7°C (Cal.)
• Refractive index: 1.835 (Cal.)