Cas no 912639-86-2 (5-Thiazolecarboxylic acid, 2-ethynyl-, ethyl ester)

5-Thiazolecarboxylic acid, 2-ethynyl-, ethyl ester structure
912639-86-2 structure
Product Name:5-Thiazolecarboxylic acid, 2-ethynyl-, ethyl ester
CAS No:912639-86-2
MF:C8H7NO2S
MW:181.211680650711
MDL:MFCD28669621
CID:1961201
PubChem ID:87511076
Update Time:2025-09-25

5-Thiazolecarboxylic acid, 2-ethynyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-Thiazolecarboxylic acid, 2-ethynyl-, ethyl ester
    • 912639-86-2
    • SCHEMBL3332117
    • Ethyl 2-Ethynylthiazole-5-carboxylate
    • CS-0459533
    • SY269612
    • MFCD28669621
    • MDL: MFCD28669621
    • Inchi: 1S/C8H7NO2S/c1-3-7-9-5-6(12-7)8(10)11-4-2/h1,5H,4H2,2H3
    • InChI Key: CRAWQMWIRZAETQ-UHFFFAOYSA-N
    • SMILES: S1C(C#C)=NC=C1C(=O)OCC

Computed Properties

  • Exact Mass: 181.01974964Da
  • Monoisotopic Mass: 181.01974964Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 220
  • 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: 1.8
  • Topological Polar Surface Area: 67.4?2

5-Thiazolecarboxylic acid, 2-ethynyl-, ethyl ester Pricemore >>

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