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-thiophenecarboxylateMolecular Formula
C14H11NO2S2Molecular Mass
289.37Cite 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 ) (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