4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazole-3-thiol
• CAS No.: 77803-46-4
• Molecular Formula: C12H11N3O2S
• Molecular Weight: 261.30
• DSSTox Substance ID: DTXSID301132435
• Mol file: 77803-46-4.mol

Synonyms:77803-46-4;4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazole-3-thiol;4-Allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-ylhydrosulfide;4-Allyl-5-(benzo[d][1,3]dioxol-5-yl)-4H-1,2,4-triazole-3-thiol;3-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione;5-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol;DTXSID301132435;CDA80346;BBL004240;MFCD03848612;STK231218;AKOS000283263;BB 0217515;CS-0317178;7W-0882;SR-01000306822;SR-01000306822-1;5-(1,3-Benzodioxol-5-yl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione;5-(2H-1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Chemical Property of 4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 261.05719778
• Heavy Atom Count: 18
• Complexity: 399

Purity/Quality:

98%min ^*data from raw suppliers

4-Allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazole-3-thiol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C=CCN1C(=NNC1=S)C2=CC3=C(C=C2)OCO3