Cas no 952022-28-5 (2-(2,5-Dimethylthiophen-3-yl)-5,5-dimethyl-1,3,2-dioxaborinane)
952022-28-5 structure
Product Name:2-(2,5-Dimethylthiophen-3-yl)-5,5-dimethyl-1,3,2-dioxaborinane
CAS No:952022-28-5
MF:C11H17BO2S
MW:224.127482175827
CID:6940965
PubChem ID:24763720
Update Time:2025-05-06
2-(2,5-Dimethylthiophen-3-yl)-5,5-dimethyl-1,3,2-dioxaborinane Chemical and Physical Properties
Names and Identifiers
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- 952022-28-5
- CS-0439119
- 2-(2,5-Dimethylthiophen-3-yl)-5,5-dimethyl-1,3,2-dioxaborinane
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- Inchi： 1S/C11H17BO2S/c1-8-5-10(9(2)15-8)12-13-6-11(3,4)7-14-12/h5H,6-7H2,1-4H3
- InChI Key： DBAOACWEYQGISE-UHFFFAOYSA-N
- SMILES： S1C(C)=CC(B2OCC(C)(C)CO2)=C1C
Computed Properties
- Exact Mass: 224.1042311Da
- Monoisotopic Mass: 224.1042311Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 225
- 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: 46.7?2
2-(2,5-Dimethylthiophen-3-yl)-5,5-dimethyl-1,3,2-dioxaborinane Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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2. 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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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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