Cas no 19282-42-9 (2-Thiophenecarboxylic acid, 4-methyl-5-phenyl-, ethyl ester)
19282-42-9 structure
Product Name:2-Thiophenecarboxylic acid, 4-methyl-5-phenyl-, ethyl ester
CAS No:19282-42-9
MF:C14H14O2S
MW:246.324762821198
CID:1385745
PubChem ID:821904
Update Time:2025-04-20
2-Thiophenecarboxylic acid, 4-methyl-5-phenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4-methyl-5-phenyl-, ethyl ester
- ethyl 4-methyl-5-phenylthiophene-2-carboxylate
- AA-516/30035034
- ethyl 4-methyl-5-phenyl-2-thiophenecarboxylate
- 19282-42-9
- DB-157751
- SCHEMBL13088494
-
- Inchi： 1S/C14H14O2S/c1-3-16-14(15)12-9-10(2)13(17-12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
- InChI Key： CKJRVAUKMFCVBT-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OCC)=CC(C)=C1C1C=CC=CC=1
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, 4-methyl-5-phenyl-, ethyl ester Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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