3-(Propylsulfanyl)propanenitrile

Base Information

• Chemical Name: 3-(Propylsulfanyl)propanenitrile
• CAS No.: 54974-64-0
• Molecular Formula: C6H11NS
• Molecular Weight: 129.226
• DSSTox Substance ID: DTXSID20504373
• Wikidata: Q82358827

Synonyms:54974-64-0;SCHEMBL9644773;DTXSID20504373;AKOS000220078;3-(PROPYLSULFANYL)PROPANENITRILE

Chemical Property of 3-(Propylsulfanyl)propanenitrile

Chemical Property:

• Boiling Point: 95-100 °C(Press: 4 Torr)
• PSA: 49.09000
• Density: 0.957±0.06 g/cm3(Predicted)
• LogP: 2.04328
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 129.06122053
• Heavy Atom Count: 8
• Complexity: 81.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSCCC#N

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