Cas no 30922-32-8 (2-[(Trichloromethyl)sulfanyl]-3a,4,5,6-tetrahydro-1H-isoindole-1,3(2H)-dione)

2-[(Trichloromethyl)sulfanyl]-3a,4,5,6-tetrahydro-1H-isoindole-1,3(2H)-dione structure
30922-32-8 structure
Product Name:2-[(Trichloromethyl)sulfanyl]-3a,4,5,6-tetrahydro-1H-isoindole-1,3(2H)-dione
CAS No:30922-32-8
MF:C9H8Cl3NO2S
MW:300.589318275452
CID:2821461
PubChem ID:56605855
Update Time:2025-04-21

2-[(Trichloromethyl)sulfanyl]-3a,4,5,6-tetrahydro-1H-isoindole-1,3(2H)-dione Chemical and Physical Properties

Names and Identifiers

    • 30922-32-8
    • 2-[(Trichloromethyl)sulfanyl]-3a,4,5,6-tetrahydro-1H-isoindole-1,3(2H)-dione
    • DTXSID80718035
    • SCHEMBL1170715
    • Inchi: 1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h3,6H,1-2,4H2
    • InChI Key: GOMTZSYWLVEQCW-UHFFFAOYSA-N
    • SMILES: ClC(SN1C(C2=CCCCC2C1=O)=O)(Cl)Cl

Computed Properties

  • Exact Mass: 298.934133Da
  • Monoisotopic Mass: 298.934133Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 377
  • 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: 3.1
  • Topological Polar Surface Area: 62.7?2
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