1,3-Dithetan-2-one, 4-(dicyanomethylene)-

Base Information

• Chemical Name: 1,3-Dithetan-2-one, 4-(dicyanomethylene)-
• CAS No.: 13157-38-5
• Molecular Formula: C₅N₂OS₂
• Molecular Weight: 168.2
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50157114
• Wikidata: Q83025238
• Mol file: 13157-38-5.mol

Synonyms:13157-38-5;1,3-Dithetan-2-one, 4-(dicyanomethylene)-;4-Oxo-1,3-dithietan-2-ylidene) malonitrile;2-(4-oxo-1,3-dithietan-2-ylidene)propanedinitrile;1,3-Dithietan-2-one, 4-(dicyanomethylene)-;DTXSID50157114;LNPWNMAIVPEJNZ-UHFFFAOYSA-N;(4-oxo-1,3-dithietan-2-ylidene)propanedinitrile;propanedinitrile, 2-(4-oxo-1,3-dithietan-2-ylidene)-

Chemical Property of 1,3-Dithetan-2-one, 4-(dicyanomethylene)-

Chemical Property:

• Vapor Pressure: 0.0431mmHg at 25°C
• Boiling Point: 238.1°Cat760mmHg
• Flash Point: 97.8°C
• PSA: 115.25000
• Density: 1.768g/cm³
• LogP: 1.84516
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 167.94520497
• Heavy Atom Count: 10
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C(=C1SC(=O)S1)C#N

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