5-(4-Phenyl-1,3-butadienyl)-1,2-dithiol-3-thione

Base Information

• Chemical Name: 5-(4-Phenyl-1,3-butadienyl)-1,2-dithiol-3-thione
• CAS No.: 112738-98-4
• Molecular Formula: C13H10S3
• DSSTox Substance ID: DTXSID10707851

Synonyms:112738-98-4;5-(4-phenyl-1,3-butadienyl)-1,2-dithiol-3-thione;DTXSID10707851;IYWBUHTYEIHJMP-UHFFFAOYSA-N;5-(4-Phenylbuta-1,3-dien-1-yl)-3H-1,2-dithiole-3-thione

Chemical Property of 5-(4-Phenyl-1,3-butadienyl)-1,2-dithiol-3-thione

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 261.99446384
• Heavy Atom Count: 16
• Complexity: 333

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC=CC2=CC(=S)SS2

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