Cas no 278593-17-2 (1-(Phenylsulfonyl)-1H-indole-3-carboxylic Acid)

1-(Phenylsulfonyl)-1H-indole-3-carboxylic Acid structure
278593-17-2 structure
Product Name:1-(Phenylsulfonyl)-1H-indole-3-carboxylic Acid
CAS No:278593-17-2
MF:C15H11NO4S
MW:301.317142724991
MDL:MFCD02682021
CID:252278
PubChem ID:736484
Update Time:2025-04-19

1-(Phenylsulfonyl)-1H-indole-3-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-3-carboxylicacid, 1-(phenylsulfonyl)-
    • 1-Phenylsulphonylindole-3-Carboxylic Acid
    • 1-(Phenylsulfonyl)indole-3-carboxylic acid
    • 1-(benzenesulfonyl)indole-3-carboxylic acid
    • 1-(Phenylsulfonyl)-1H-indole-3-carboxylic acid
    • 1-(phenylsulfonyl)-3-indolecarboxylic acid
    • 1-benzenesulfonylindole-3-carboxylic acid
    • MS-20185
    • 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-
    • AN-989/14381010
    • 278593-17-2
    • ISTBYLZYNVIQFS-UHFFFAOYSA-N
    • 1-(Phenylsulphonyl)-1H-indole-3-carboxylic acid
    • Oprea1_368751
    • 1-(benzenesulfonyl)-1H-indole-3-carboxylic acid
    • CHEMBL1213199
    • AB91148
    • 1-(Phenylsulphonyl)indole-3-carboxylic acid
    • FT-0605860
    • 1-(Phenylsulfonyl)-1H-indole-3-carboxylic acid, AldrichCPR
    • DTXSID10353034
    • MFCD02682021
    • AKOS005257824
    • CS-0313237
    • 3-Carboxy-1-(phenylsulphonyl)-1H-indole
    • SCHEMBL948989
    • G80386
    • BBL101214
    • STL555010
    • DB-004274
    • 1-(PHENYLSULFONYL)-1H-INDOLE-3-CARBOXYLICACID
    • 1-(Phenylsulfonyl)-1H-indole-3-carboxylic Acid
    • MDL： MFCD02682021
    • Inchi： 1S/C15H11NO4S/c17-15(18)13-10-16(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10H,(H,17,18)
    • InChI Key： ISTBYLZYNVIQFS-UHFFFAOYSA-N
    • SMILES： S(C1C=CC=CC=1)(N1C=C(C(=O)O)C2C=CC=CC1=2)(=O)=O

Computed Properties

  • Exact Mass: 301.04100
  • Monoisotopic Mass: 301.041
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 492
  • 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
  • Topological Polar Surface Area: 84.8A^2
  • XLogP3: 2.8

Experimental Properties

  • Density: 1.4
  • Melting Point: 232 °C
  • Boiling Point: 570.7°Cat760mmHg
  • Flash Point: 299°C
  • Refractive Index: 1.663
  • PSA: 84.75000
  • LogP: 3.65730

1-(Phenylsulfonyl)-1H-indole-3-carboxylic Acid Security Information

  • Hazard Statement： Irritant
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT
  • Safety Term：S26;S37/39
  • Risk Phrases：R36/37/38

1-(Phenylsulfonyl)-1H-indole-3-carboxylic Acid Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1-(Phenylsulfonyl)-1H-indole-3-carboxylic Acid Production Method

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