Cas no 219929-89-2 (4-(4-Methylphenyl)sulfanyl-3-nitrobenzenecarboxylic acid)

4-(4-Methylphenyl)sulfanyl-3-nitrobenzenecarboxylic acid structure
219929-89-2 structure
Product Name:4-(4-Methylphenyl)sulfanyl-3-nitrobenzenecarboxylic acid
CAS No:219929-89-2
MF:C14H11NO4S
MW:289.306442499161
CID:243768
PubChem ID:706203
Update Time:2025-04-19

4-(4-Methylphenyl)sulfanyl-3-nitrobenzenecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-[(4-methylphenyl)thio]-3-nitro-
    • 4-(4-methylphenyl)sulfanyl-3-nitrobenzoic acid
    • 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid
    • HMS545L16
    • FT-0644018
    • 219929-89-2
    • 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzoic acid
    • Maybridge1_001490
    • 3-Nitro-4-(p-tolylthio)benzoic acid
    • Z55985159
    • DTXSID70351657
    • 11N-656S
    • Oprea1_664523
    • AKOS001042134
    • SCHEMBL18779432
    • W-206700
    • 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxylic acid
    • EN300-05229
    • 3-Nitro-4-(p-tolylthio)benzoicacid
    • MFCD00828783
    • 4-(4-Methylphenyl)sulfanyl-3-nitrobenzenecarboxylic acid
    • Inchi: 1S/C14H11NO4S/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3,(H,16,17)
    • InChI Key: XXUBZSQLPIRCFW-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)C1C=CC(C(=O)O)=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 289.04100
  • Monoisotopic Mass: 289.04087901g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 363
  • 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: 3.7
  • Topological Polar Surface Area: 108?2

Experimental Properties

  • Density: 1.42
  • Boiling Point: 464.8°Cat760mmHg
  • Flash Point: 234.9°C
  • Refractive Index: 1.678
  • PSA: 108.42000
  • LogP: 4.27580

4-(4-Methylphenyl)sulfanyl-3-nitrobenzenecarboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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