Butanoyl isothiocyanate

Base Information

• Chemical Name: Butanoyl isothiocyanate
• CAS No.: 28815-59-0
• Molecular Formula: C5H7 N O S
• Molecular Weight: 129.18
• DSSTox Substance ID: DTXSID20509186
• Mol file: 28815-59-0.mol

Synonyms:Butanoyl isothiocyanate;28815-59-0;DTXSID20509186;BUTANECARBONYL ISOTHIOCYANATE;PROPANECARBONYLISOTHIOCYANATE;AKOS009075504

Chemical Property of Butanoyl isothiocyanate

Chemical Property:

• Boiling Point: 175.8±9.0 °C(Predicted)
• PSA: 61.52000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 1.41590
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 129.02483502
• Heavy Atom Count: 8
• Complexity: 126

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)N=C=S