Dithyreanitrile

Base Information

• Chemical Name: Dithyreanitrile
• CAS No.: 128717-80-6
• Molecular Formula: C13H14N2OS2
• Molecular Weight: 278.39
• DSSTox Substance ID: DTXSID70155975
• Nikkaji Number: J476.038G
• Wikidata: Q83023964
• Mol file: 128717-80-6.mol

Synonyms:dithyreanitrile

Chemical Property of Dithyreanitrile

Chemical Property:

• Vapor Pressure: 1E-07mmHg at 25°C
• Boiling Point: 433.7°C at 760 mmHg
• Flash Point: 216.1°C
• PSA: 99.41000
• Density: 1.301g/cm³
• LogP: 3.57888
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 278.05475542
• Heavy Atom Count: 18
• Complexity: 337

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1NC=C2C(C#N)(SC)SC

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