[(Z)-3-oxoprop-1-enyl] thiocyanate

Base Information

• Chemical Name: [(Z)-3-oxoprop-1-enyl] thiocyanate
• CAS No.: 6645-61-0
• Molecular Formula: C4H3NOS
• Molecular Weight: 113.13800
• DSSTox Substance ID: DTXSID001254995
• Nikkaji Number: J149.608E

Synonyms:6645-61-0;DTXSID001254995;THIOCYANIC ACID, 3-OXO-1-PROPENYL ESTER, (Z)-

Chemical Property of [(Z)-3-oxoprop-1-enyl] thiocyanate

Chemical Property:

• Melting Point: 62-64 °C
• Boiling Point: 243.1±32.0 °C(Predicted)
• PSA: 66.16000
• Density: 1.218±0.06 g/cm3(Predicted)
• LogP: 0.91328
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 112.99353489
• Heavy Atom Count: 7
• Complexity: 121

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=CSC#N)C=O
• Isomeric SMILES: C(=C\SC#N)\C=O

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