Cas no 444909-59-5 (4-chloro-1,3-thiazole-5-carboxylic acid)

4-chloro-1,3-thiazole-5-carboxylic acid structure
444909-59-5 structure
Product Name:4-chloro-1,3-thiazole-5-carboxylic acid
CAS No:444909-59-5
MF:C4H2ClNO2S
MW:163.582178592682
MDL:MFCD09837290
CID:324780
PubChem ID:22147840
Update Time:2025-04-19

4-chloro-1,3-thiazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Chlorothiazole-5-carboxylic acid
    • 4-chloro-1,3-thiazole-5-carboxylic acid
    • 5-Thiazolecarboxylic acid, 4-chloro-
    • 4-chloro-5-thiazolecarboxylic acid
    • 5-Thiazolecarboxylicacid,4-chloro
    • 4-Chloro-thiazole-5-carboxylic Acid
    • 5-Thiazolecarboxylicacid,4-chloro-
    • BS-13093
    • AT15210
    • 4-chloranyl-1,3-thiazole-5-carboxylic acid
    • EN300-43224
    • Z436443092
    • PIORVFYHSPLLLG-UHFFFAOYSA-N
    • FT-0649639
    • A826602
    • MFCD09837290
    • AMY1637
    • AKOS000320586
    • 5-Thiazolecarboxylicacid, 4-chloro-
    • DTXSID20622945
    • SCHEMBL3559718
    • 444909-59-5
    • CS-0216441
    • J-515208
    • 4-Chloro-5-thiazolecarboxylicacid
    • MDL: MFCD09837290
    • Inchi: 1S/C4H2ClNO2S/c5-3-2(4(7)8)9-1-6-3/h1H,(H,7,8)
    • InChI Key: PIORVFYHSPLLLG-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)O)SC=N1

Computed Properties

  • Exact Mass: 162.94900
  • Monoisotopic Mass: 162.949
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 132
  • 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: 78.4A^2
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.693
  • Melting Point: 245-247 °C
  • Boiling Point: 336.335°C at 760 mmHg
  • Flash Point: 157.21°C
  • Refractive Index: 1.634
  • PSA: 78.43000
  • LogP: 1.49470
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

4-chloro-1,3-thiazole-5-carboxylic acid Security Information

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