2-[(3,5-Dimethoxyphenyl)thio]-3-methylbutanoic acid

CAS Registry Number®

887585-79-7
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CAS Name

2-[(3,5-Dimethoxyphenyl)thio]-3-methylbutanoic acid

Molecular Formula

C13H18O4S

Molecular Mass

270.34

Cite this Page

2-[(3,5-Dimethoxyphenyl)thio]-3-methylbutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=887585-79-7 (retrieved 2024-08-31) (CAS RN: 887585-79-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H18O4S/c1-8(2)12(13(14)15)18-11-6-9(16-3)5-10(7-11)17-4/h5-8,12H,1-4H3,(H,14,15)

InChIKey

InChIKey=VQDRPTLYFCQFOT-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C(SC=1C=C(OC)C=C(OC)C1)C(C)C

Other Names for this Substance

  • Butanoic acid, 2-[(3,5-dimethoxyphenyl)thio]-3-methyl-
  • 2-[(3,5-Dimethoxyphenyl)thio]-3-methylbutanoic acid
  • 2-[(3,5-Dimethoxyphenyl)sulfanyl]-3-methylbutanoic acid