Cas no 31271-90-6 (1-(p-Toluenesulfonyl)indole)

1-(p-Toluenesulfonyl)indole structure
1-(p-Toluenesulfonyl)indole structure
Product Name:1-(p-Toluenesulfonyl)indole
CAS No:31271-90-6
MF:C15H13NO2S
MW:271.334222555161
MDL:MFCD01165032
CID:88905
PubChem ID:10956616
Update Time:2025-04-18

1-(p-Toluenesulfonyl)indole Chemical and Physical Properties

Names and Identifiers

    • 1-(p-Toluenesulfonyl)indole
    • 1-[(4-Methylphenyl)sulfonyl]-1H-indole
    • [(4-methylphenyl)sulfonyl]indole
    • 1-(4-methylbenzenesulfonyl)indole
    • 1-(4-methylphenyl)sulfonyl-1H-indole
    • 1-(4-methylphenylsulfonyl)-1H-indole
    • 1-(p-toluenesulfonyl)-1H-indole
    • 1-(toluene-4-sulfonyl)-1H-indole
    • 1-tosylindole
    • CHEBI:43455
    • CHEMBL1084600
    • CTK8F2809
    • N-Tosylindole
    • N-Ts-indole
    • SureCN1673252
    • CS-0196101
    • 1-(toluene4-sulfonyl)-1H-indole
    • 1-(p-toluenesulphonyl)indole
    • 1-(4-METHYLBENZENESULFONYL)-1H-INDOLE
    • SCHEMBL1673252
    • MFCD01165032
    • D84604
    • 1-tosyl-1H-indole
    • 1-(p-tolylsulfonyl)indole
    • 1-(4-methylphenyl)sulfonylindole
    • AKOS005207599
    • CCG-277936
    • SY312071
    • N-(p-toluenesulfonyl)-indole
    • DTXSID50449788
    • N-(P-TOLUENESULFONYL)INDOLE
    • Q27461675
    • 31271-90-6
    • JNRRPYFLDADLJW-UHFFFAOYSA-N
    • AS-81649
    • STL275650
    • DTXCID20400609
    • MDL: MFCD01165032
    • Inchi: 1S/C15H13NO2S/c1-12-6-8-14(9-7-12)19(17,18)16-11-10-13-4-2-3-5-15(13)16/h2-11H,1H3
    • InChI Key: JNRRPYFLDADLJW-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(N1C=CC2C=CC=CC1=2)(=O)=O

Computed Properties

  • Exact Mass: 271.06679
  • Monoisotopic Mass: 271.06669983g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 406
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.6
  • Topological Polar Surface Area: 47.4?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.24
  • Melting Point: 84-86°C
  • Boiling Point: 458.269 °C at 760 mmHg
  • Flash Point: 230.953 °C
  • Refractive Index: 1.627
  • Water Partition Coefficient: Insoluble in water.
  • PSA: 39.07
  • LogP: 4.26750
  • Solubility: Not determined

1-(p-Toluenesulfonyl)indole Pricemore >>

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abcr
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