4-Bromo-2(3H)-benzothiazolethione

CAS Registry Number®

1083181-41-2
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CAS Name

4-Bromo-2(3H)-benzothiazolethione

Molecular Formula

C7H4BrNS2

Molecular Mass

246.15

Cite this Page

4-Bromo-2(3H)-benzothiazolethione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1083181-41-2 (retrieved 2024-09-08) (CAS RN: 1083181-41-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    184-185 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H4BrNS2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)

InChIKey

InChIKey=CNIJVNGILLYJHJ-UHFFFAOYSA-N

SMILES

BrC1=C2C(SC(=S)N2)=CC=C1

Canonical SMILES

S=C1SC=2C=CC=C(Br)C2N1

Other Names for this Substance

  • 2(3H)-Benzothiazolethione, 4-bromo-
  • 4-Bromo-2(3H)-benzothiazolethione
  • 4-Bromo-2-mercapto-1,3-benzothiazole