Cas no 208337-82-0 (ETHYL 5-(BUT-3-ENYL)THIOPHENE-2-CARBOXYLATE)
208337-82-0 structure
Product Name:ETHYL 5-(BUT-3-ENYL)THIOPHENE-2-CARBOXYLATE
CAS No:208337-82-0
MF:C11H14O2S
MW:210.292662143707
CID:910636
PubChem ID:53428879
Update Time:2025-04-19
ETHYL 5-(BUT-3-ENYL)THIOPHENE-2-CARBOXYLATE Chemical and Physical Properties
Names and Identifiers
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- ETHYL 5-(BUT-3-ENYL)THIOPHENE-2-CARBOXYLATE
- ethyl 5-but-3-enylthiophene-2-carboxylate
- DTXSID60699954
- 208337-82-0
- Ethyl 5-(but-3-en-1-yl)thiophene-2-carboxylate
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- Inchi： 1S/C11H14O2S/c1-3-5-6-9-7-8-10(14-9)11(12)13-4-2/h3,7-8H,1,4-6H2,2H3
- InChI Key： MNNOPXRFIKPGGY-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OCC)=CC=C1CCC=C
Computed Properties
- Exact Mass: 210.071
- Monoisotopic Mass: 210.071
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 204
- 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
- Topological Polar Surface Area: 54.5A^2
- XLogP3: 3.6
Experimental Properties
- Density: 1.082±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.12 g/l) (25 o C),
ETHYL 5-(BUT-3-ENYL)THIOPHENE-2-CARBOXYLATE Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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