Cas no 137267-48-2 (5-isopropyl-2-methylthiazole-4-carboxylic acid)

5-isopropyl-2-methylthiazole-4-carboxylic acid structure
137267-48-2 structure
Product Name:5-isopropyl-2-methylthiazole-4-carboxylic acid
CAS No:137267-48-2
MF:C8H11NO2S
MW:185.24344086647
MDL:MFCD20535478
CID:1243993
PubChem ID:15093944
Update Time:2025-04-20

5-isopropyl-2-methylthiazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolecarboxylic acid, 2-methyl-5-(1-methylethyl)-
    • STL248648
    • SCHEMBL1431563
    • AJPHVIIYUJWTMG-UHFFFAOYSA-N
    • 137267-48-2
    • 2-methyl-5-(propan-2-yl)-1,3-thiazole-4-carboxylic acid
    • 5-Isopropyl-2-methylthiazole-4-carboxylicacid
    • AKOS022703952
    • 2-Methyl-5-(1-methylethyl)-1,3-thiazole-4-carboxylic acid
    • 5-ISOPROPYL-2-METHYL-1,3-THIAZOLE-4-CARBOXYLIC ACID
    • 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
    • 5-isopropyl-2-methylthiazole-4-carboxylic acid
    • VS-11853
    • BBL033169
    • MFCD20535478
    • MDL: MFCD20535478
    • Inchi: 1S/C8H11NO2S/c1-4(2)7-6(8(10)11)9-5(3)12-7/h4H,1-3H3,(H,10,11)
    • InChI Key: AJPHVIIYUJWTMG-UHFFFAOYSA-N
    • SMILES: S1C(C)=NC(C(=O)O)=C1C(C)C

Computed Properties

  • Exact Mass: 185.05113
  • Monoisotopic Mass: 185.05104977g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 184
  • 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: 2.4
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 306.3±30.0 °C at 760 mmHg
  • Flash Point: 139.1±24.6 °C
  • PSA: 50.19
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

5-isopropyl-2-methylthiazole-4-carboxylic acid Security Information

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