Butenyl isothiocyanate

Base Information

• Chemical Name: Butenyl isothiocyanate
• CAS No.: 34424-44-7
• Molecular Formula: C5 H9 N S
• Molecular Weight: 113.18
• Hs Code.: 2929109000
• ChEMBL ID: CHEMBL2251722
• Mol file: 34424-44-7.mol

Synonyms:butenylisothiocyanate;BylITC

Chemical Property of Butenyl isothiocyanate

Chemical Property:

• Boiling Point: 168.6°Cat760mmHg
• Flash Point: 47.9°C
• PSA: 44.45000
• Density: 0.9g/cm³
• LogP: 1.66530
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 113.02992040
• Heavy Atom Count: 7
• Complexity: 101

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CN=C=S
• Isomeric SMILES: CC/C=C/N=C=S