Difethialone

CAS Registry Number®

104653-34-1

CAS Name

Difethialone

Molecular Formula

C31H23BrO2S

Molecular Mass

539.48

Cite this Page

Difethialone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104653-34-1 (retrieved 2024-11-21) (CAS RN: 104653-34-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    233-236 °C

  • Density (1)

    1.3614 g/cm³ @ Temp: 25 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2

InChIKey

InChIKey=JHELOZJAKXYVBE-UHFFFAOYSA-N

SMILES

OC1=C(C2C=3C(CC(C2)C4=CC=C(C=C4)C5=CC=C(Br)C=C5)=CC=CC3)C(=O)SC=6C1=CC=CC6

Canonical SMILES

O=C1SC=2C=CC=CC2C(O)=C1C3C=4C=CC=CC4CC(C5=CC=C(C=C5)C=6C=CC(Br)=CC6)C3

Other Names for this Substance

  • 2H-1-Benzothiopyran-2-one, 3-[3-(4′-bromo[1,1′-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-
  • 3-[3-(4′-Bromo[1,1′-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-2H-1-benzothiopyran-2-one
  • Difethialone
  • LM 2219
  • Baraki

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration