2-(1,1-Dioxothiolan-3-yl)-2-phenylacetonitrile

Base Information

• Chemical Name: 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetonitrile
• CAS No.: 17134-13-3
• Molecular Formula: C12H13 N O2 S
• Molecular Weight: 235.3021
• NSC Number: 130264
• DSSTox Substance ID: DTXSID50299422
• Mol file: 17134-13-3.mol

Synonyms:NSC130264;17134-13-3;DTXSID50299422;NSC-130264

Chemical Property of 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetonitrile

Chemical Property:

• Vapor Pressure: 8.07E-09mmHg at 25°C
• Boiling Point: 464.9°Cat760mmHg
• Flash Point: 234.9°C
• Density: 1.277g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 235.06669983
• Heavy Atom Count: 16
• Complexity: 381

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)CC1C(C#N)C2=CC=CC=C2