5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid

CAS Registry Number®

126231-22-9
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CAS Name

5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid

Molecular Formula

C13H18O2S

Molecular Mass

238.35

Cite this Page

5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=126231-22-9 (retrieved 2024-04-28) (CAS RN: 126231-22-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198-200 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H18O2S/c1-13(2,3)9-4-5-10-8(6-9)7-11(16-10)12(14)15/h7,9H,4-6H2,1-3H3,(H,14,15)

InChIKey

InChIKey=VDSYCTWGBTXSEX-UHFFFAOYSA-N

SMILES

C(C)(C)(C)C1CC2=C(SC(C(O)=O)=C2)CC1

Canonical SMILES

O=C(O)C=1SC2=C(C1)CC(CC2)C(C)(C)C

Other Names for this Substance

  • Benzo[b]thiophene-2-carboxylic acid, 5-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-
  • 5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid

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