Cas no 5682-06-4 (3-Thiophenecarboxylic acid, 2,5-dimethyl-, ethyl ester)
5682-06-4 structure
Product Name:3-Thiophenecarboxylic acid, 2,5-dimethyl-, ethyl ester
CAS No:5682-06-4
MF:C9H12O2S
MW:184.255381584167
CID:347766
PubChem ID:24976500
Update Time:2025-04-19
3-Thiophenecarboxylic acid, 2,5-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiophenecarboxylic acid, 2,5-dimethyl-, ethyl ester
- 5682-06-4
- 2,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
- Ethyl 2,5-dimethylthiophene-3-carboxylate
- ethyl 2,5-dimethyl-3-thiophenecarboxylate
- DTXSID60648280
-
- Inchi： 1S/C9H12O2S/c1-4-11-9(10)8-5-6(2)12-7(8)3/h5H,4H2,1-3H3
- InChI Key： CSVCZNBOTKZLPZ-UHFFFAOYSA-N
- SMILES： S1C(C)=CC(C(=O)OCC)=C1C
Computed Properties
- Exact Mass: 184.05586
- Monoisotopic Mass: 184.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 170
- 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: 2.6
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
3-Thiophenecarboxylic acid, 2,5-dimethyl-, ethyl ester Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
5682-06-4 (3-Thiophenecarboxylic acid, 2,5-dimethyl-, ethyl ester) Related Products
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