Isothiocyanatoethene

Base Information

• Chemical Name: Isothiocyanatoethene
• CAS No.: 1520-22-5
• Molecular Formula: C3H3NS
• Molecular Weight: 85.12760
• DSSTox Substance ID: DTXSID00333885
• Nikkaji Number: J1.290.942J

Synonyms:vinyl isothiocyanate;isothiocyanatoethene;Ethene, isothiocyanato-;1-Isothiocyanatoethylene;1520-22-5;DTXSID00333885

Chemical Property of Isothiocyanatoethene

Chemical Property:

• PSA: 44.45000
• LogP: 1.23270
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 84.99862027
• Heavy Atom Count: 5
• Complexity: 71

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CN=C=S

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