Cas no 922504-43-6 (5-[(4-Methylphenyl)methanesulfonyl]-1,2,4-thiadiazole)

5-[(4-Methylphenyl)methanesulfonyl]-1,2,4-thiadiazole structure
922504-43-6 structure
Product Name:5-[(4-Methylphenyl)methanesulfonyl]-1,2,4-thiadiazole
CAS No:922504-43-6
MF:C10H10N2O2S2
MW:254.328599452972
CID:740761
Update Time:2023-08-03

5-[(4-Methylphenyl)methanesulfonyl]-1,2,4-thiadiazole Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-Thiadiazole, 5-[[(4-methylphenyl)methyl]sulfonyl]-
    • 5-[(4-methylphenyl)methylsulfonyl]-1,2,4-thiadiazole
    • 5-[(4-Methylphenyl)methanesulfonyl]-1,2,4-thiadiazole
    • Inchi: 1S/C10H10N2O2S2/c1-8-2-4-9(5-3-8)6-16(13,14)10-11-7-12-15-10/h2-5,7H,6H2,1H3
    • InChI Key: PQXKHSQOBGKPLC-UHFFFAOYSA-N
    • SMILES: S(C1=NC=NS1)(CC1C=CC(C)=CC=1)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 318
  • Topological Polar Surface Area: 96.5
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