Cas no 61206-95-9 (2,3-Thiophenedicarboxylic acid, 4-phenyl-, 2-ethyl 3-methyl ester)
61206-95-9 structure
Product Name:2,3-Thiophenedicarboxylic acid, 4-phenyl-, 2-ethyl 3-methyl ester
CAS No:61206-95-9
MF:C15H14O4S
MW:290.334263324738
CID:488453
PubChem ID:12286786
Update Time:2025-04-19
2,3-Thiophenedicarboxylic acid, 4-phenyl-, 2-ethyl 3-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Thiophenedicarboxylic acid, 4-phenyl-, 2-ethyl 3-methyl ester
- 2-O-ethyl 3-O-methyl 4-phenylthiophene-2,3-dicarboxylate
- 61206-95-9
- DTXSID20484520
-
- Inchi： 1S/C15H14O4S/c1-3-19-15(17)13-12(14(16)18-2)11(9-20-13)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
- InChI Key： YURJSKWPQYBAKQ-UHFFFAOYSA-N
- SMILES： S1C=C(C2C=CC=CC=2)C(C(=O)OC)=C1C(=O)OCC
Computed Properties
- Exact Mass: 290.06132
- Monoisotopic Mass: 290.06128010g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 352
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 80.8?2
Experimental Properties
- PSA: 52.6
2,3-Thiophenedicarboxylic acid, 4-phenyl-, 2-ethyl 3-methyl ester Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
61206-95-9 (2,3-Thiophenedicarboxylic acid, 4-phenyl-, 2-ethyl 3-methyl ester) Related Products
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