5-Chloro-2-oxo-3(2H)-benzothiazoleacetonitrile

CAS Registry Number®

74943-76-3
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CAS Name

5-Chloro-2-oxo-3(2H)-benzothiazoleacetonitrile

Molecular Formula

C9H5ClN2OS

Molecular Mass

224.67

Cite this Page

5-Chloro-2-oxo-3(2H)-benzothiazoleacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74943-76-3 (retrieved 2024-08-16) (CAS RN: 74943-76-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    202-203 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H5ClN2OS/c10-6-1-2-8-7(5-6)12(4-3-11)9(13)14-8/h1-2,5H,4H2

InChIKey

InChIKey=KLCIFYGPPSOMBT-UHFFFAOYSA-N

SMILES

C(C#N)N1C=2C(SC1=O)=CC=C(Cl)C2

Canonical SMILES

N#CCN1C(=O)SC2=CC=C(Cl)C=C21

Other Names for this Substance

  • 3(2H)-Benzothiazoleacetonitrile, 5-chloro-2-oxo-
  • 5-Chloro-2-oxo-3(2H)-benzothiazoleacetonitrile
  • 2-(5-Chloro-2-oxobenzo[d]thiazol-3(2H)-yl)acetonitrile
  • 2-(5-Chloro-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetonitrile