Cas no 23604-61-7 (8-Thia-5,6-diazaspiro[3.4]oct-5-en-2-one, 1,1,3,3-tetramethyl-)

8-Thia-5,6-diazaspiro[3.4]oct-5-en-2-one, 1,1,3,3-tetramethyl- structure
23604-61-7 structure
Product Name:8-Thia-5,6-diazaspiro[3.4]oct-5-en-2-one, 1,1,3,3-tetramethyl-
CAS No:23604-61-7
MF:C9H14N2OS
MW:198.285260677338
CID:1414499
PubChem ID:10987229
Update Time:2025-04-20

8-Thia-5,6-diazaspiro[3.4]oct-5-en-2-one, 1,1,3,3-tetramethyl- Chemical and Physical Properties

Names and Identifiers

    • 8-Thia-5,6-diazaspiro[3.4]oct-5-en-2-one, 1,1,3,3-tetramethyl-
    • 1,1,3,3-tetramethyl-5-thia-7,8-diazaspiro[3.4]oct-7-en-2-one
    • DTXSID70450856
    • 23604-61-7
    • Inchi: 1S/C9H14N2OS/c1-7(2)6(12)8(3,4)9(7)11-10-5-13-9/h5H2,1-4H3
    • InChI Key: HRXAEZXWVWMWSN-UHFFFAOYSA-N
    • SMILES: S1CN=NC21C(C)(C)C(C2(C)C)=O

Computed Properties

  • Exact Mass: 198.08282
  • Monoisotopic Mass: 198.08268425g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 289
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 67.1?2

Experimental Properties

  • PSA: 41.79
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