3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile

Base Information

• Chemical Name: 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile
• CAS No.: 175204-16-7
• Molecular Formula: C12H14 N2 S2
• Molecular Weight: 250.38300
• DSSTox Substance ID: DTXSID50381735
• Mol file: 175204-16-7.mol

Synonyms:175204-16-7;3,3-di(ethylthio)-2-(2-pyridyl)acrylonitrile;3,3-bis(ethylsulfanyl)-2-pyridin-2-ylprop-2-enenitrile;2-Pyridineacetonitrile, alpha-[bis(ethylthio)methylene]-;2-Pyridineacetonitrile,a-[bis(ethylthio)methylene]-;3,3-bis(ethylsulfanyl)-2-(pyridin-2-yl)prop-2-enenitrile;DTXSID50381735;AKOS015908751;FT-0614036;3,3-Bis(ethylthio)-2-(pyridin-2-yl)acrylonitrile

Chemical Property of 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile

Chemical Property:

• Vapor Pressure: 7.28E-06mmHg at 25°C
• Melting Point: 160oC
• Boiling Point: 376.4oC at 760 mmHg
• Flash Point: 181.4oC
• PSA: 87.28000
• Density: 1.169g/cm3
• LogP: 3.77998
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 250.05984080
• Heavy Atom Count: 16
• Complexity: 283

Purity/Quality:

98%min ^*data from raw suppliers

3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(=C(C#N)C1=CC=CC=N1)SCC