2-[[[4-(1,1-Dimethylethyl)phenyl]methyl]thio]acetic acid

CAS Registry Number®

17874-35-0
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CAS Name

2-[[[4-(1,1-Dimethylethyl)phenyl]methyl]thio]acetic acid

Molecular Formula

C13H18O2S

Molecular Mass

238.35

Cite this Page

2-[[[4-(1,1-Dimethylethyl)phenyl]methyl]thio]acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17874-35-0 (retrieved 2024-08-22) (CAS RN: 17874-35-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    75 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O2S/c1-13(2,3)11-6-4-10(5-7-11)8-16-9-12(14)15/h4-7H,8-9H2,1-3H3,(H,14,15)

InChIKey

InChIKey=JMMFEXQBJKCYBD-UHFFFAOYSA-N

SMILES

C(C)(C)(C)C1=CC=C(CSCC(O)=O)C=C1

Canonical SMILES

O=C(O)CSCC1=CC=C(C=C1)C(C)(C)C

Other Names for this Substance

  • Acetic acid, 2-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-
  • Acetic acid, [(p-tert-butylbenzyl)thio]-
  • Acetic acid, [[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-
  • 2-[[[4-(1,1-Dimethylethyl)phenyl]methyl]thio]acetic acid
  • ((4-tert-Butylbenzyl)sulfanyl)acetic acid

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