5-Chloro-2-mercaptobenzothiazole

CAS Registry Number®

5331-91-9
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CAS Name

5-Chloro-2-mercaptobenzothiazole

Molecular Formula

C7H4ClNS2

Molecular Mass

201.70

Cite this Page

5-Chloro-2-mercaptobenzothiazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5331-91-9 (retrieved 2024-04-30) (CAS RN: 5331-91-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    201-202 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

InChIKey

InChIKey=NKYDKCVZNMNZCM-UHFFFAOYSA-N

SMILES

S=C1SC=2C(N1)=CC(Cl)=CC2

Canonical SMILES

S=C1SC2=CC=C(Cl)C=C2N1

Other Names for this Substance

  • 2(3H)-Benzothiazolethione, 5-chloro-
  • 2-Benzothiazolethiol, 5-chloro-
  • 5-Chloro-2(3H)-benzothiazolethione
  • 5-Chloro-2-mercaptobenzothiazole
  • SH-Benzothiazole

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Deleted or Replaced CAS Registry Numbers

39883-82-4

CAS INSIGHTSTM
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