3-(Dodecylthio)butyronitrile

Base Information

• Chemical Name: 3-(Dodecylthio)butyronitrile
• CAS No.: 93918-85-5
• Molecular Formula: C16H31 N S
• Molecular Weight: 269.48904
• European Community (EC) Number: 299-966-6
• DSSTox Substance ID: DTXSID40917143
• Nikkaji Number: J320.448K
• Mol file: 93918-85-5.mol

Synonyms:3-(Dodecylthio)butyronitrile;93918-85-5;EINECS 299-966-6;EC 299-966-6;3-(DODECYLTHIO)BUTANENITRILE;C16H31NS;SCHEMBL8895842;DTXSID40917143;C16-H31-N-S;3-(DODECYLSULFANYL)BUTANENITRILE

Chemical Property of 3-(Dodecylthio)butyronitrile

Chemical Property:

• Vapor Pressure: 4.09E-06mmHg at 25°C
• Boiling Point: 384.5°Cat760mmHg
• Flash Point: 186.3°C
• PSA: 49.09000
• Density: 0.897g/cm³
• LogP: 5.94268
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 269.21772117
• Heavy Atom Count: 18
• Complexity: 206

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCSC(C)CC#N