Cas no 1188147-10-5 (7-Chlorobenzo[d]thiazole-2-carbonitrile)

7-Chlorobenzo[d]thiazole-2-carbonitrile is a heterocyclic organic compound featuring a benzo[d]thiazole core substituted with a chlorine atom at the 7-position and a nitrile group at the 2-position. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The electron-withdrawing nitrile group enhances electrophilic properties, facilitating further functionalization, while the chlorine substituent offers a site for cross-coupling reactions. Its rigid aromatic system contributes to stability and potential bioactivity, particularly in the development of antimicrobial and antitumor agents. The compound’s high purity and well-defined structure ensure reproducibility in research applications. Its compatibility with modern synthetic methodologies underscores its utility in medicinal chemistry and material science.
7-Chlorobenzo[d]thiazole-2-carbonitrile structure
1188147-10-5 structure
Product Name:7-Chlorobenzo[d]thiazole-2-carbonitrile
CAS No:1188147-10-5
MF:C8H3ClN2S
MW:194.640818834305
CID:838481
PubChem ID:55264164
Update Time:2025-07-02

7-Chlorobenzo[d]thiazole-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 7-Chlorobenzo[d]thiazole-2-carbonitrile
    • 2-Benzothiazolecarbonitrile, 7-chloro-
    • 7-Chloro-1,3-benzothiazole-2-carbonitrile
    • 7-chloro-2-Benzothiazolecarbonitrile
    • AK-59691
    • ANW-61156
    • CTK8B8747
    • KB-249747
    • 1188147-10-5
    • DB-023344
    • DTXSID60717081
    • BDBM50570934
    • CHEMBL4875943
    • AKOS006305903
    • Inchi: 1S/C8H3ClN2S/c9-5-2-1-3-6-8(5)12-7(4-10)11-6/h1-3H
    • InChI Key: CEJBBOFZPWCAHI-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC2=C1SC(C#N)=N2

Computed Properties

  • Exact Mass: 193.9705470g/mol
  • Monoisotopic Mass: 193.9705470g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 224
  • 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: 3.1
  • Topological Polar Surface Area: 64.9?2

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