2-[(3-Methylbutyl)thio]benzoic acid

CAS Registry Number®

17839-63-3
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CAS Name

2-[(3-Methylbutyl)thio]benzoic acid

Molecular Formula

C12H16O2S

Molecular Mass

224.32

Cite this Page

2-[(3-Methylbutyl)thio]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17839-63-3 (retrieved 2024-06-17) (CAS RN: 17839-63-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    89 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H16O2S/c1-9(2)7-8-15-11-6-4-3-5-10(11)12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)

InChIKey

InChIKey=UACLGFBCPUCMFP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=CC=CC1SCCC(C)C

Other Names for this Substance

  • Benzoic acid, 2-[(3-methylbutyl)thio]-
  • Benzoic acid, o-(isopentylthio)-
  • 2-[(3-Methylbutyl)thio]benzoic acid
  • 2-(3-Methylbutylsulfanyl)benzoic acid
  • 2-(3-Methyl-butylsulfanyl)-benzoic acid

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