Thiiranebutanenitrile

Base Information

• Chemical Name: Thiiranebutanenitrile
• CAS No.: 58130-94-2
• Molecular Formula: C6H9 N S
• Molecular Weight: 127.2074
• DSSTox Substance ID: DTXSID80973703
• Nikkaji Number: J452.096C
• Wikidata: Q82957726
• Metabolomics Workbench ID: 44832
• Mol file: 58130-94-2.mol

Synonyms:Thiiranebutanenitrile;4-(thiiran-2-yl)butanenitrile;1-Cyano-4,5-epithiopentane;58130-94-2;Thiiranebutanenitrile, (+-)-;76786-82-8;(3-Cyanopropyl)thiirane;5,6-Epithiohexanenitrile;Thiiranebutanenitrile, 9CI;(+-)-ThIIranebutanenitrile;1- Cyano-4,5-epithiopentan;DTXSID80973703;CHEBI:178619

Chemical Property of Thiiranebutanenitrile

Chemical Property:

• Vapor Pressure: 0.0128mmHg at 25°C
• Boiling Point: 259.7°C at 760 mmHg
• Flash Point: 110.9°C
• PSA: 49.09000
• Density: 1.09g/cm³
• LogP: 1.79568
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 127.04557046
• Heavy Atom Count: 8
• Complexity: 113

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(S1)CCCC#N