4-Allyl-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol
[CAS# 724749-10-4]

Identification

• Name: 4-Allyl-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-[4-(dimethylamino)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-[4-(dimethylamino)phenyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol; MFCD04059334
• Molecular Formula: C₁₃H₁₆N₄S
• Molecular Weight: 260.36
• CAS Registry Number: 724749-10-4
• SMILES: CN(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)S
• InChI: 1S/C13H16N4S/c1-4-9-17-12(14-15-13(17)18)10-5-7-11(8-6-10)16(2)3/h4-8H,1,9H2,2-3H3,(H,15,18)
• InChIKey: STLICZRBJOVEPW-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 439.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 219.3±31.5°C (Cal.)
• Refractive index: 1.622 (Cal.)

Safety Data

• Safety Description: IRRITANT