Cas no 1310427-75-8 (Ethyl 4-(4-methylthiophen-2-yl)butanoate)
1310427-75-8 structure
Product Name:Ethyl 4-(4-methylthiophen-2-yl)butanoate
CAS No:1310427-75-8
MF:C11H16O2S
MW:212.308542251587
CID:2154030
Update Time:2023-08-05
Ethyl 4-(4-methylthiophen-2-yl)butanoate Chemical and Physical Properties
Names and Identifiers
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- ethyl 4-(4-methylthiophen-2-yl)butanoate
- Ethyl 4-(4-methylthiophen-2-yl)butanoate
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- Inchi: 1S/C11H16O2S/c1-3-13-11(12)6-4-5-10-7-9(2)8-14-10/h7-8H,3-6H2,1-2H3
- InChI Key: FBQKXCVUIJDJCQ-UHFFFAOYSA-N
- SMILES: S1C=C(C)C=C1CCCC(=O)OCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 182
- Topological Polar Surface Area: 54.5
Ethyl 4-(4-methylthiophen-2-yl)butanoate Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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