CID 5234682

Base Information

• Chemical Name: CID 5234682
• CAS No.: 5494-58-6
• Molecular Formula: C13H16N2O3S2
• Molecular Weight: 312.4077
• DSSTox Substance ID: DTXSID00412063

Synonyms:5494-58-6;ZINC04538080;DTXSID00412063

Chemical Property of CID 5234682

Chemical Property:

• Vapor Pressure: 2.28E-08mmHg at 25°C
• Boiling Point: 452.2°C at 760 mmHg
• Flash Point: 227.3°C
• Density: 1.35g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 312.06023472
• Heavy Atom Count: 20
• Complexity: 488

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)S(=O)(=O)N=C2N(C(=O)CS2)CC

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