2-Oxothiolane-3-carbonitrile

Base Information

• Chemical Name: 2-Oxothiolane-3-carbonitrile
• CAS No.: 133036-76-7
• Molecular Formula: C₅H₅NOS
• Molecular Weight: 127.167
• DSSTox Substance ID: DTXSID10564820

Synonyms:2-Oxothiolane-3-carbonitrile;133036-76-7;SCHEMBL21648230;DTXSID10564820

Chemical Property of 2-Oxothiolane-3-carbonitrile

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 127.00918496
• Heavy Atom Count: 8
• Complexity: 157

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• Canonical SMILES: C1CSC(=O)C1C#N

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