Cas no 2228692-83-7 (5-(but-3-yn-1-yl)-2-chloro-1,3-thiazole)

5-(But-3-yn-1-yl)-2-chloro-1,3-thiazole is a functionalized thiazole derivative featuring a chloro substituent at the 2-position and a but-3-yn-1-yl group at the 5-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of the chloro group enhances reactivity for further functionalization, while the alkyne moiety offers opportunities for click chemistry or cross-coupling reactions. Its rigid thiazole core contributes to structural stability, making it valuable in designing bioactive molecules. The compound is typically handled under controlled conditions due to its reactivity. Suitable for research and industrial applications requiring precise molecular modifications.
5-(but-3-yn-1-yl)-2-chloro-1,3-thiazole structure
2228692-83-7 structure
Product Name:5-(but-3-yn-1-yl)-2-chloro-1,3-thiazole
CAS No:2228692-83-7
MF:C7H6ClNS
MW:171.647239208221
CID:5862406
PubChem ID:165635302
Update Time:2025-05-28

5-(but-3-yn-1-yl)-2-chloro-1,3-thiazole Chemical and Physical Properties

Names and Identifiers

    • 5-(but-3-yn-1-yl)-2-chloro-1,3-thiazole
    • 2228692-83-7
    • EN300-1994858
    • Inchi: 1S/C7H6ClNS/c1-2-3-4-6-5-9-7(8)10-6/h1,5H,3-4H2
    • InChI Key: SLKSANURUPZDAO-UHFFFAOYSA-N
    • SMILES: ClC1=NC=C(CCC#C)S1

Computed Properties

  • Exact Mass: 170.9909481g/mol
  • Monoisotopic Mass: 170.9909481g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 151
  • 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: 2.8
  • Topological Polar Surface Area: 41.1?2

5-(but-3-yn-1-yl)-2-chloro-1,3-thiazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1994858-1g
5-(but-3-yn-1-yl)-2-chloro-1,3-thiazole
2228692-83-7
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$1485.0 2023-09-16
Enamine
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Enamine
EN300-1994858-0.05g
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Enamine
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Enamine
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Enamine
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Enamine
EN300-1994858-1.0g
5-(but-3-yn-1-yl)-2-chloro-1,3-thiazole
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Enamine
EN300-1994858-2.5g
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