3-(2H-1,3-Benzodioxol-5-yl)-6-(3-bromophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Base Information

• Chemical Name: 3-(2H-1,3-Benzodioxol-5-yl)-6-(3-bromophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
• CAS No.: 6785-12-2
• Molecular Formula: C17H11BrN4O2S
• Molecular Weight: 415.2638
• DSSTox Substance ID: DTXSID40411015
• Wikidata: Q82217440
• Mol file: 6785-12-2.mol

Synonyms:6785-12-2;DTXSID40411015;3-(2H-1,3-Benzodioxol-5-yl)-6-(3-bromophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Chemical Property of 3-(2H-1,3-Benzodioxol-5-yl)-6-(3-bromophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Chemical Property:

• Vapor Pressure: 2.08E-18mmHg at 25°C
• Boiling Point: 681.1°Cat760mmHg
• Flash Point: 365.7°C
• Density: 1.81g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 413.97861
• Heavy Atom Count: 25
• Complexity: 539

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=NN=C4N3NC(=CS4)C5=CC(=CC=C5)Br