4-Allyl-5-(2,6-dihydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Base Information

• Chemical Name: 4-Allyl-5-(2,6-dihydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• CAS No.: 29213-05-6
• Molecular Formula: C11H11 N3 O2 S
• Molecular Weight: 249.28894
• European Community (EC) Number: 249-513-3
• DSSTox Substance ID: DTXSID301134031
• Nikkaji Number: J250.801J
• Mol file: 29213-05-6.mol

Synonyms:29213-05-6;EINECS 249-513-3;4-Allyl-5-(2,6-dihydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;DTXSID301134031;5-(2,6-Dihydroxyphenyl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione;5-(2,6-Dihydroxyphenyl)-2,4-dihydro-4-(2-propenyl)-3H-1,2,4-triazole-3-thione

Chemical Property of 4-Allyl-5-(2,6-dihydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 314.9°Cat760mmHg
• Flash Point: 144.3°C
• PSA: 106.16000
• Density: 1.47g/cm³
• LogP: 2.20490
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 249.05719778
• Heavy Atom Count: 17
• Complexity: 349

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C=CCN1C(=NNC1=S)C2=C(C=CC=C2O)O