Cas no 62404-01-7 (2-Thiophenecarboxylic acid, 5-methyl-4-phenyl-, ethyl ester)
62404-01-7 structure
Product Name:2-Thiophenecarboxylic acid, 5-methyl-4-phenyl-, ethyl ester
CAS No:62404-01-7
MF:C14H14O2S
MW:246.324762821198
CID:445951
PubChem ID:12323221
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 5-methyl-4-phenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 5-methyl-4-phenyl-, ethyl ester
- ethyl 5-methyl-4-phenylthiophene-2-carboxylate
- SCHEMBL6018784
- DTXSID90488934
- 62404-01-7
-
- Inchi： 1S/C14H14O2S/c1-3-16-14(15)13-9-12(10(2)17-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
- InChI Key： SYAHQELCLODWRY-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OCC)=CC(C2C=CC=CC=2)=C1C
Computed Properties
- Exact Mass: 246.07152
- Monoisotopic Mass: 246.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 261
- 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: 4.2
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
2-Thiophenecarboxylic acid, 5-methyl-4-phenyl-, ethyl ester Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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4. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
62404-01-7 (2-Thiophenecarboxylic acid, 5-methyl-4-phenyl-, ethyl ester) Related Products
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