Cas no 115311-25-6 (2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic Acid)

2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic Acid structure
115311-25-6 structure
Product Name:2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic Acid
CAS No:115311-25-6
MF:C11H9NO2S
MW:219.259661436081
CID:2112016
PubChem ID:15623074
Update Time:2025-04-21

2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-methylphenyl)-4-Thiazolecarboxylic acid
    • 2-(O-TOLYL)-THIAZOLE-4-CARBOXYLIC ACID
    • SCHEMBL3536997
    • EN300-66772
    • XXUMWTWIZGPWAY-UHFFFAOYSA-N
    • 2-o-tolyl-thiazole-4-carboxylic acid
    • DA-28584
    • Z381355514
    • 849-933-2
    • 2-(2-methylphenyl)-1,3-thiazole-4-carboxylic acid
    • 4-Thiazolecarboxylic acid, 2-(2-methylphenyl)-
    • 115311-25-6
    • AKOS009311522
    • QEA31125
    • 2-(o-Tolyl)thiazole-4-carboxylic acid
    • BS-30147
    • 2-(o-Tolyl)thiazole-4-carboxylicacid
    • 2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic Acid
    • MDL: MFCD07376333
    • Inchi: 1S/C11H9NO2S/c1-7-4-2-3-5-8(7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)
    • InChI Key: XXUMWTWIZGPWAY-UHFFFAOYSA-N
    • SMILES: S1C=C(C(=O)O)N=C1C1C=CC=CC=1C

Computed Properties

  • Exact Mass: 219.03539970Da
  • Monoisotopic Mass: 219.03539970Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 247
  • 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: 2.8
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: 119-121 °C
  • Boiling Point: 430.3±47.0 °C at 760 mmHg
  • Flash Point: 214.1±29.3 °C
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic Acid Security Information

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