(Dodecylthio)acetonitrile

Base Information

• Chemical Name: (Dodecylthio)acetonitrile
• CAS No.: 51956-42-4
• Molecular Formula: C14H27NS
• Molecular Weight: 241.4359
• European Community (EC) Number: 257-549-6
• DSSTox Substance ID: DTXSID90885429
• Nikkaji Number: J279.390C
• Wikidata: Q82864052
• Mol file: 51956-42-4.mol

Synonyms:(Dodecylthio)acetonitrile;DODECYLTHIOACETONITRILE;51956-42-4;Acetonitrile, (dodecylthio)-;Acetonitrile, 2-(dodecylthio)-;EINECS 257-549-6;2-(Dodecylthio)acetonitrile;C14H27NS;DTXSID90885429;C14-H27-N-S;FT-0756554

Chemical Property of (Dodecylthio)acetonitrile

Chemical Property:

• Vapor Pressure: 7.9E-05mmHg at 25°C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 341.7°Cat760mmHg
• Flash Point: 160.5°C
• PSA: 49.09000
• Density: 0.904g/cm³
• LogP: 5.16408
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 241.18642104
• Heavy Atom Count: 16
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

DODECYLTHIOACETONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 24/25

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCSCC#N