4-[(Trifluoromethyl)thio]benzoic acid

CAS Registry Number®

330-17-6

CAS Name

4-[(Trifluoromethyl)thio]benzoic acid

Molecular Formula

C8H5F3O2S

Molecular Mass

222.18

Cite this Page

4-[(Trifluoromethyl)thio]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=330-17-6 (retrieved 2024-11-22) (CAS RN: 330-17-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    160-161 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)

InChIKey

InChIKey=UMOGQQWVQUQTQA-UHFFFAOYSA-N

SMILES

S(C(F)(F)F)C1=CC=C(C(O)=O)C=C1

Canonical SMILES

O=C(O)C1=CC=C(SC(F)(F)F)C=C1

Other Names for this Substance

  • Benzoic acid, 4-[(trifluoromethyl)thio]-
  • Benzoic acid, p-[(trifluoromethyl)thio]-
  • 4-[(Trifluoromethyl)thio]benzoic acid
  • 4-Trifluoromethylsulfanylbenzoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration