6,8-Bis[(phenylmethyl)thio]octanoic acid

CAS Registry Number®

95809-78-2

CAS Name

6,8-Bis[(phenylmethyl)thio]octanoic acid

Molecular Formula

C22H28O2S2

Molecular Mass

388.59

Cite this Page

6,8-Bis[(phenylmethyl)thio]octanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=95809-78-2 (retrieved 2024-11-22) (CAS RN: 95809-78-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    50-57 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)

InChIKey

InChIKey=ZYRLHJIMTROTBO-UHFFFAOYSA-N

SMILES

C(SCC1=CC=CC=C1)(CCSCC2=CC=CC=C2)CCCCC(O)=O

Canonical SMILES

O=C(O)CCCCC(SCC=1C=CC=CC1)CCSCC=2C=CC=CC2

Other Names for this Substance

  • Octanoic acid, 6,8-bis[(phenylmethyl)thio]-
  • Octanoic acid, 6,8-bis(benzylthio)-
  • 6,8-Bis[(phenylmethyl)thio]octanoic acid
  • CPI 613
  • Devimistat

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration