4-[(1,1-Dimethylethyl)thio]benzoic acid

CAS Registry Number®

13205-51-1
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CAS Name

4-[(1,1-Dimethylethyl)thio]benzoic acid

Molecular Formula

C11H14O2S

Molecular Mass

210.29

Cite this Page

4-[(1,1-Dimethylethyl)thio]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13205-51-1 (retrieved 2024-09-09) (CAS RN: 13205-51-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    144 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H14O2S/c1-11(2,3)14-9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)

InChIKey

InChIKey=LCECZYVHSXADNP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-[(1,1-dimethylethyl)thio]-
  • Benzoic acid, p-(tert-butylthio)-
  • 4-[(1,1-Dimethylethyl)thio]benzoic acid
  • 4-(tert-Butylthio)benzoic acid