Cas no 100960-16-5 (Ethyl 4-(Chloromethyl)-1,3-thiazole-2-carboxylate)

Ethyl 4-(Chloromethyl)-1,3-thiazole-2-carboxylate is a versatile heterocyclic compound featuring a reactive chloromethyl group and an ester functionality, making it a valuable intermediate in organic synthesis. Its thiazole core is significant in pharmaceutical and agrochemical applications due to its bioactivity. The chloromethyl group allows for further functionalization, enabling the introduction of diverse substituents, while the ester moiety offers flexibility for hydrolysis or transesterification. This compound is particularly useful in the synthesis of thiazole-based derivatives, including potential drug candidates and biologically active molecules. Its stability and reactivity under controlled conditions make it a practical choice for research and industrial applications requiring precise structural modifications.
Ethyl 4-(Chloromethyl)-1,3-thiazole-2-carboxylate structure
100960-16-5 structure
Product Name:Ethyl 4-(Chloromethyl)-1,3-thiazole-2-carboxylate
CAS No:100960-16-5
MF:C7H8ClNO2S
MW:205.661919593811
MDL:MFCD10697515
CID:124401
PubChem ID:10822129
Update Time:2025-06-07

Ethyl 4-(Chloromethyl)-1,3-thiazole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-(chloromethyl)thiazole-2-carboxylate
    • 2-Thiazolecarboxylicacid, 4-(chloromethyl)-, ethyl ester
    • ETHYL 4-(CHLOROMETHYL)-1,3-THIAZOLE-2-CARBOXYLATE
    • 4-(chloromethyl)-2-thiazolecarboxylic acid ethyl ester
    • 4-(chloromethyl)thiazole-2-carboxylic acid-ethyl ester
    • 4-chloromethyl-2-ethoxycarbonylthia
    • 4-chloromethyl-thiazole-2-carboxylic acid ethyl ester
    • AC1Q34DI
    • CTK6F8167
    • ethyl 4-chloromethylthiazole-2-carboxylate
    • ethylchloromethylthiazolecarboxylate
    • SureCN855435
    • 2-Thiazolecarboxylicacid,4-(chloromethyl)-,ethylester(6CI,9CI)
    • 2-Thiazolecarboxylic acid, 4-(chloromethyl)-, ethyl ester
    • MFCD10697515
    • 100960-16-5
    • J-000290
    • SCHEMBL855435
    • 2-thiazolecarboxylic acid,4-(chloromethyl)-,ethyl ester
    • FT-0684434
    • AB59805
    • DTXSID10445362
    • Ethyl 4-(chloromethyl)-2-thiazolecarboxylate
    • GF-0727
    • ETHYL4-(CHLOROMETHYL)THIAZOLE-2-CARBOXYLATE
    • J-520935
    • JSYOQGQNLKDSGQ-UHFFFAOYSA-N
    • EN300-37232
    • AKOS009157469
    • 2-Thiazolecarboxylicacid,4-(chloromethyl)-,ethylester
    • G30916
    • DB-334192
    • ALBB-034056
    • STL453424
    • Ethyl 4-(Chloromethyl)-1,3-thiazole-2-carboxylate
    • MDL: MFCD10697515
    • Inchi: 1S/C7H8ClNO2S/c1-2-11-7(10)6-9-5(3-8)4-12-6/h4H,2-3H2,1H3
    • InChI Key: JSYOQGQNLKDSGQ-UHFFFAOYSA-N
    • SMILES: ClCC1=CSC(C(=O)OCC)=N1

Computed Properties

  • Exact Mass: 204.99654
  • Monoisotopic Mass: 204.9964274g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 168
  • 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: 1.9
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • PSA: 39.19
  • LogP: 2.05860

Ethyl 4-(Chloromethyl)-1,3-thiazole-2-carboxylate Security Information

  • HazardClass:IRRITANT

Ethyl 4-(Chloromethyl)-1,3-thiazole-2-carboxylate Pricemore >>

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