4,5-Diethoxy-2-mercaptobenzoic acid

CAS Registry Number®

100059-52-7
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CAS Name

4,5-Diethoxy-2-mercaptobenzoic acid

Molecular Formula

C11H14O4S

Molecular Mass

242.29

Cite this Page

4,5-Diethoxy-2-mercaptobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=100059-52-7 (retrieved 2024-08-14) (CAS RN: 100059-52-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    202-203 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H14O4S/c1-3-14-8-5-7(11(12)13)10(16)6-9(8)15-4-2/h5-6,16H,3-4H2,1-2H3,(H,12,13)

InChIKey

InChIKey=GYQXMBQMWUBFJR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=C(OCC)C(OCC)=CC1S

Other Names for this Substance

  • Benzoic acid, 4,5-diethoxy-2-mercapto-
  • 4,5-Diethoxy-2-mercaptobenzoic acid