Ethyl 2-isothiocyanato-5-phenyl-3-thiophenecarboxylate

CAS Registry Number®

85716-86-5
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CAS Name

Ethyl 2-isothiocyanato-5-phenyl-3-thiophenecarboxylate

Molecular Formula

C14H11NO2S2

Molecular Mass

289.37

Cite this Page

Ethyl 2-isothiocyanato-5-phenyl-3-thiophenecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85716-86-5 (retrieved 2024-08-20) (CAS RN: 85716-86-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94-95 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H11NO2S2/c1-2-17-14(16)11-8-12(19-13(11)15-9-18)10-6-4-3-5-7-10/h3-8H,2H2,1H3

InChIKey

InChIKey=CPFCEMRIQOSVSA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OCC)C=1C=C(SC1N=C=S)C=2C=CC=CC2

Other Names for this Substance

  • 3-Thiophenecarboxylic acid, 2-isothiocyanato-5-phenyl-, ethyl ester
  • Ethyl 2-isothiocyanato-5-phenyl-3-thiophenecarboxylate
  • 2-Isothiocyanato-5-phenyl-3-thiophenecarboxylic acid ethyl ester