Cas no 117954-70-8 (1-Tosyl-1H-pyrrole-3-carbaldehyde)

1-Tosyl-1H-pyrrole-3-carbaldehyde structure
117954-70-8 structure
Product Name:1-Tosyl-1H-pyrrole-3-carbaldehyde
CAS No:117954-70-8
MF:C12H11NO3S
MW:249.285641908646
MDL:MFCD00667757
CID:1011108
PubChem ID:10377367
Update Time:2025-04-20

1-Tosyl-1H-pyrrole-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-Tosyl-1H-pyrrole-3-carbaldehyde
    • 1-(4-methylphenyl)sulfonylpyrrole-3-carbaldehyde
    • 1-(Toluene-4-sulfonyl)-1H-pyrrole-3-carbaldehyde
    • 1H-Pyrrole-3-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-
    • ACMC-20acil
    • AG-L-59552
    • ANW-67147
    • CTK0C4612
    • MolPort-022-399-031
    • DTXSID10438971
    • 117954-70-8
    • 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carbaldehyde
    • SB63132
    • SCHEMBL1504599
    • 1-(toluene-4-sulfonyl)-1h-pyrrole-3-carboxaldehyde
    • UJCPINMMJOQEOT-UHFFFAOYSA-N
    • 1-(p-Tolylsulfonyl)pyrrole-3-carboxaldehyde
    • 1-tosylpyrrole-3-carbaldehyde
    • MFCD00667757
    • AKOS015995006
    • 1-(4-METHYLBENZENESULFONYL)PYRROLE-3-CARBALDEHYDE
    • AS-41386
    • DB-354106
    • MDL： MFCD00667757
    • Inchi： 1S/C12H11NO3S/c1-10-2-4-12(5-3-10)17(15,16)13-7-6-11(8-13)9-14/h2-9H,1H3
    • InChI Key： UJCPINMMJOQEOT-UHFFFAOYSA-N
    • SMILES： S(C1C=CC(C)=CC=1)(N1C=CC(C=O)=C1)(=O)=O

Computed Properties

  • Exact Mass: 249.04603
  • Monoisotopic Mass: 249.04596439g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 366
  • 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: 1.7
  • Topological Polar Surface Area: 64.5?2

Experimental Properties

  • PSA: 56.14

1-Tosyl-1H-pyrrole-3-carbaldehyde Pricemore >>

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abcr
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abcr
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