4-Allyl-5-[1-(3,5-dimethylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
[CAS# 667413-04-9]

Identification

• Name: 4-Allyl-5-[1-(3,5-dimethylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-[(3,5-dimethylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol; 5-[1-(3,5-dimethylphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; MFCD04054564
• Molecular Formula: C₁₅H₁₉N₃OS
• Molecular Weight: 289.40
• CAS Registry Number: 667413-04-9
• SMILES: CC1=CC(=CC(=C1)OC(C)C2=NN=C(N2CC=C)S)C
• InChI: 1S/C15H19N3OS/c1-5-6-18-14(16-17-15(18)20)12(4)19-13-8-10(2)7-11(3)9-13/h5,7-9,12H,1,6H2,2-4H3,(H,17,20)
• InChIKey: UUFKAPQFGWNOPJ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 467.4±55.0°C at 760 mmHg (Cal.)
• Flash point: 236.5±31.5°C (Cal.)
• Refractive index: 1.595 (Cal.)

Safety Data

• Safety Description: IRRITANT