1-(3-Isothiocyanatopropyl)pyrrolidin-2-one

Base Information

• Chemical Name: 1-(3-Isothiocyanatopropyl)pyrrolidin-2-one
• CAS No.: 53485-01-1
• Molecular Formula: C8H12N2OS
• DSSTox Substance ID: DTXSID101266452

Synonyms:53485-01-1;SCHEMBL5008301;DTXSID101266452;1-(3-Isothiocyanatopropyl)-2-pyrrolidinone

Chemical Property of 1-(3-Isothiocyanatopropyl)pyrrolidin-2-one

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 184.06703418
• Heavy Atom Count: 12
• Complexity: 211

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• Canonical SMILES: C1CC(=O)N(C1)CCCN=C=S

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