Cas no 64665-11-8 (3-Octyl-1-[(trichloromethyl)sulfanyl]pyrrolidine-2,5-dione)

3-Octyl-1-[(trichloromethyl)sulfanyl]pyrrolidine-2,5-dione structure
64665-11-8 structure
Product Name:3-Octyl-1-[(trichloromethyl)sulfanyl]pyrrolidine-2,5-dione
CAS No:64665-11-8
MF:C13H20Cl3NO2S
MW:360.72739982605
CID:2792523
PubChem ID:71371482
Update Time:2025-04-21

3-Octyl-1-[(trichloromethyl)sulfanyl]pyrrolidine-2,5-dione Chemical and Physical Properties

Names and Identifiers

    • 64665-11-8
    • DTXSID80794415
    • 3-OCTYL-1-[(TRICHLOROMETHYL)SULFANYL]PYRROLIDINE-2,5-DIONE
    • 3-Octyl-1-[(trichloromethyl)sulfanyl]pyrrolidine-2,5-dione
    • Inchi: 1S/C13H20Cl3NO2S/c1-2-3-4-5-6-7-8-10-9-11(18)17(12(10)19)20-13(14,15)16/h10H,2-9H2,1H3
    • InChI Key: HNYVPPZESDDFFA-UHFFFAOYSA-N
    • SMILES: ClC(SN1C(CC(C1=O)CCCCCCCC)=O)(Cl)Cl

Computed Properties

  • Exact Mass: 359.028033Da
  • Monoisotopic Mass: 359.028033Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 8
  • Complexity: 347
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.7
  • Topological Polar Surface Area: 62.7?2
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