Cas no 906092-45-3 (4-iodo-7-(4-methylbenzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine)

4-iodo-7-(4-methylbenzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine structure
906092-45-3 structure
Product Name:4-iodo-7-(4-methylbenzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
CAS No:906092-45-3
MF:C13H10IN3O2S
MW:399.206873416901
MDL:MFCD09907940
CID:822643
PubChem ID:58691740
Update Time:2025-09-19

4-iodo-7-(4-methylbenzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4-IODO-7-[(4-METHYLPHENYL)SULFONYL]-7H-PYRROLO[2,3-D]PYRIMIDINE
    • 4-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
    • 4-iodo-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine
    • 4-iodo-7-(4-methylbenzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
    • AKOS024255668
    • 906092-45-3
    • CS-0055206
    • SCHEMBL4075074
    • PB26528
    • KLDSFRZUPGWQCX-UHFFFAOYSA-N
    • P10842
    • 4-Iodo-7-(toluene-4-sulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
    • DB-295408
    • MDL: MFCD09907940
    • Inchi: 1S/C13H10IN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17/h2-8H,1H3
    • InChI Key: KLDSFRZUPGWQCX-UHFFFAOYSA-N
    • SMILES: IC1=C2C=CN(C2=NC=N1)S(C1C=CC(C)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 398.95385g/mol
  • Monoisotopic Mass: 398.95385g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 445
  • 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: 2.9
  • Topological Polar Surface Area: 73.2?2

Experimental Properties

  • Density: 1.86

4-iodo-7-(4-methylbenzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine Pricemore >>

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