4-Pentenyl thiocyanate

Base Information

• Chemical Name: 4-Pentenyl thiocyanate
• CAS No.: 20243-54-3
• Molecular Formula: C6H9 N S
• Molecular Weight: 127.21
• DSSTox Substance ID: DTXSID80566179
• Nikkaji Number: J1.632.624K
• Wikidata: Q82451667
• Mol file: 20243-54-3.mol

Synonyms:4-PENTENYL THIOCYANATE;Pent-4-enyl Thiocyanate;20243-54-3;4-pent-enyl thiocyanate;Pent-4-en-1-yl thiocyanate;DTXSID80566179;AKOS006290720;Thiocyanic acid, 4-penten-1-yl ester

Chemical Property of 4-Pentenyl thiocyanate

Chemical Property:

• Boiling Point: 196.9±19.0 °C(Predicted)
• PSA: 49.09000
• Density: 0.978±0.06 g/cm3(Predicted)
• LogP: 2.16688
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 127.04557046
• Heavy Atom Count: 8
• Complexity: 100

Purity/Quality:

97% ^*data from raw suppliers

4-PENTENYL THIOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCSC#N