5-(2H-1,3-Benzodioxol-5-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione

Base Information

• Chemical Name: 5-(2H-1,3-Benzodioxol-5-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
• CAS No.: 77803-43-1
• Molecular Formula: C₉H₇N₃O₂S
• Molecular Weight: 221.239
• ChEMBL ID: CHEMBL4856019
• DSSTox Substance ID: DTXSID30505831
• Wikidata: Q82361184
• Mol file: 77803-43-1.mol

Synonyms:CHEMBL4856019;77803-43-1;DTXSID30505831;BDBM50569317;5-(2H-1,3-Benzodioxol-5-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property of 5-(2H-1,3-Benzodioxol-5-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 221.02589765
• Heavy Atom Count: 15
• Complexity: 321

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C3=NC(=S)NN3