4-Allyl-5-(3-Nitrophenyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 17050-61-2]

Identification

• Name: 4-Allyl-5-(3-Nitrophenyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-Allyl-5-(3-nitro-phenyl)-4H-[1,2,4]triazole-3-thiol; 4H-1,2,4-triazole-3-thiol, 5-(3-nitrophenyl)-4-(2-propenyl)-; 5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₁H₁₀N₄O₂S
• Molecular Weight: 262.29
• CAS Registry Number: 17050-61-2
• SMILES: C=CCN1C(=NN=C1S)C2=CC(=CC=C2)[N+](=O)[O-]
• InChI: 1S/C11H10N4O2S/c1-2-6-14-10(12-13-11(14)18)8-4-3-5-9(7-8)15(16)17/h2-5,7H,1,6H2,(H,13,18)
• InChIKey: GUZZADMBHQNVTA-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 459.4±55.0°C at 760 mmHg (Cal.)
• Flash point: 231.6±31.5°C (Cal.)
• Refractive index: 1.688 (Cal.)