Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-isothiocyanato-, ethyl ester

CAS Registry Number®

85716-87-6
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CAS Name

Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-isothiocyanato-, ethyl ester

Molecular Formula

C12H13NO2S2

Molecular Mass

267.37

Cite this Page

Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-isothiocyanato-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=85716-87-6 (retrieved 2024-04-28) (CAS RN: 85716-87-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    46-47 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C12H13NO2S2/c1-2-15-12(14)10-8-5-3-4-6-9(8)17-11(10)13-7-16/h2-6H2,1H3

InChIKey

InChIKey=UGKJYSQOLXXTJG-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C2=C(SC1N=C=S)CCCC2

Canonical SMILES

O=C(OCC)C1=C(N=C=S)SC2=C1CCCC2

Other Names for this Substance

  • Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-isothiocyanato-, ethyl ester
  • Ethyl 4,5,6,7-tetrahydro-2-isothiocyanatobenzo[b]thiophene-3-carboxylate
  • Ethyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
  • 2-Isothiocyanato-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

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