Cas no 854137-57-8 (2-(3-chlorophenyl)-4-methylthiazole-5-carboxylic acid)

2-(3-chlorophenyl)-4-methylthiazole-5-carboxylic acid structure
854137-57-8 structure
Product Name:2-(3-chlorophenyl)-4-methylthiazole-5-carboxylic acid
CAS No:854137-57-8
MF:C11H8ClNO2S
MW:253.704720497131
MDL:MFCD06857929
CID:1837634
PubChem ID:4962563
Update Time:2025-04-21

2-(3-chlorophenyl)-4-methylthiazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
    • 4-METHYL-2-(3-CHLOROPHENYL)THIAZOLE-5-CARBOXYLICACID
    • SCHEMBL23794689
    • 2-(3-Chlorophenyl)-4-methylthiazole-5-carboxylic acid
    • 854137-57-8
    • STL302019
    • 4-Methyl-2-(3-chlorophenyl)thiazole-5-carboxylic acid
    • MFCD06857929
    • AKOS000118331
    • F1967-1395
    • 2-(3-Chlorophenyl)-4-methylthiazole-5-carboxylicacid
    • Z90662845
    • EN300-13652
    • G36549
    • 2-(3-chlorophenyl)-4-methylthiazole-5-carboxylic acid
    • MDL: MFCD06857929
    • Inchi: 1S/C11H8ClNO2S/c1-6-9(11(14)15)16-10(13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15)
    • InChI Key: PSIJLNNFMPSGMR-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)C1=NC(C)=C(C(=O)O)S1

Computed Properties

  • Exact Mass: 252.9964274g/mol
  • Monoisotopic Mass: 252.9964274g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 277
  • 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: 3.5
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 459.0±55.0 °C at 760 mmHg
  • Flash Point: 231.4±31.5 °C
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

2-(3-chlorophenyl)-4-methylthiazole-5-carboxylic acid Security Information

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