1,4-Dithiane-2-carbonitrile

Base Information

• Chemical Name: 1,4-Dithiane-2-carbonitrile
• CAS No.: 175136-94-4
• Molecular Formula: C5H7NS2
• Molecular Weight: 145.25
• DSSTox Substance ID: DTXSID40380515
• Mol file: 175136-94-4.mol

Synonyms:1,4-dithiane-2-carbonitrile;175136-94-4;SCHEMBL11357445;DTXSID40380515;MFCD00053061;AKOS006228643;CS-0229890;FT-0606909;EN300-101463;Z1201618343

Chemical Property of 1,4-Dithiane-2-carbonitrile

Chemical Property:

• Vapor Pressure: 0.000292mmHg at 25°C
• Refractive Index: 1.594
• Boiling Point: 321.8 °C at 760 mmHg
• Flash Point: 148.4 °C
• PSA: 74.39000
• Density: 1.26g/cm³
• LogP: 1.35858
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 145.00199157
• Heavy Atom Count: 8
• Complexity: 115

Purity/Quality:

98%min ^*data from raw suppliers

1,4-dithiane-2-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(CS1)C#N