Cas no 922504-44-7 (1,2,4-Thiadiazole, 5-[[(4-methylphenyl)methyl]sulfinyl]-)

1,2,4-Thiadiazole, 5-[[(4-methylphenyl)methyl]sulfinyl]- structure
922504-44-7 structure
Product Name:1,2,4-Thiadiazole, 5-[[(4-methylphenyl)methyl]sulfinyl]-
CAS No:922504-44-7
MF:C10H10N2OS2
MW:238.329199314117
CID:740760
PubChem ID:15983913
Update Time:2025-04-19

1,2,4-Thiadiazole, 5-[[(4-methylphenyl)methyl]sulfinyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-Thiadiazole, 5-[[(4-methylphenyl)methyl]sulfinyl]-
    • 5-[(4-methylphenyl)methylsulfinyl]-1,2,4-thiadiazole
    • 5-[(4-Methylphenyl)methanesulfinyl]-1,2,4-thiadiazole
    • 922504-44-7
    • DTXSID00580796
    • SCHEMBL5306346
    • Inchi: 1S/C10H10N2OS2/c1-8-2-4-9(5-3-8)6-15(13)10-11-7-12-14-10/h2-5,7H,6H2,1H3
    • InChI Key: KXLYTNSNYMNHEN-UHFFFAOYSA-N
    • SMILES: S(C1=NC=NS1)(CC1C=CC(C)=CC=1)=O

Computed Properties

  • Exact Mass: 238.02345529g/mol
  • Monoisotopic Mass: 238.02345529g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 230
  • 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: 2.2
  • Topological Polar Surface Area: 90.3?2
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