5-(4-Bromophenyl)isothiazole

CAS Registry Number®

49602-97-3

CAS Name

5-(4-Bromophenyl)isothiazole

Molecular Formula

C9H6BrNS

Molecular Mass

240.12

Cite this Page

5-(4-Bromophenyl)isothiazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=49602-97-3 (retrieved 2024-12-19) (CAS RN: 49602-97-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94-96 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C9H6BrNS/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H

InChIKey

InChIKey=ULAQSIMEMVAAQI-UHFFFAOYSA-N

SMILES

BrC1=CC=C(C=C1)C2=CC=NS2

Canonical SMILES

BrC=1C=CC(=CC1)C=2SN=CC2

Other Names for this Substance

  • Isothiazole, 5-(4-bromophenyl)-
  • 5-(4-Bromophenyl)isothiazole
  • 5-(p-Bromophenyl)isothiazole

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