1,3-Benzodioxole, 5-(1,3-dithian-2-yl)-

Base Information

• Chemical Name: 1,3-Benzodioxole, 5-(1,3-dithian-2-yl)-
• CAS No.: 56579-86-3
• Molecular Formula: C11H12O2S2
• Molecular Weight: 240.347
• DSSTox Substance ID: DTXSID50455485
• Nikkaji Number: J718.874I
• Wikidata: Q82277527
• Mol file: 56579-86-3.mol

Synonyms:56579-86-3;1,3-Benzodioxole, 5-(1,3-dithian-2-yl)-;5-(1,3-dithian-2-yl)benzo[d][1,3]dioxole;5-(1,3-dithian-2-yl)-1,3-benzodioxole;SCHEMBL9266484;DTXSID50455485;2-(1,3-Benzodioxol-5-yl)-1,3-dithiane

Chemical Property of 1,3-Benzodioxole, 5-(1,3-dithian-2-yl)-

Chemical Property:

• Melting Point: 86-88 °C
• Boiling Point: 383.5±42.0 °C(Predicted)
• PSA: 69.06000
• Density: 1.329±0.06 g/cm3(Predicted)
• LogP: 3.28400
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 240.02787197
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(SC1)C2=CC3=C(C=C2)OCO3