Cas no 2241877-20-1 (4,4,5,5-tetramethyl-2-(5-(methyl-d3)thiophen-2-yl-3,4-d2)-1,3,2-dioxaborolane)
2241877-20-1 structure
Product Name:4,4,5,5-tetramethyl-2-(5-(methyl-d3)thiophen-2-yl-3,4-d2)-1,3,2-dioxaborolane
CAS No:2241877-20-1
MF:C11H17BO2S
MW:229.158290624619
CID:6819366
PubChem ID:133553257
Update Time:2025-03-02
4,4,5,5-tetramethyl-2-(5-(methyl-d3)thiophen-2-yl-3,4-d2)-1,3,2-dioxaborolane Chemical and Physical Properties
Names and Identifiers
-
- 2241877-20-1
- (5-Methylthiophene-d5)-2-boronic acid pinacol ester
- F96059
- 4,4,5,5-tetramethyl-2-(5-(methyl-d3)thiophen-2-yl-3,4-d2)-1,3,2-dioxaborolane
- CS-19554
-
- Inchi： 1S/C11H17BO2S/c1-8-6-7-9(15-8)12-13-10(2,3)11(4,5)14-12/h6-7H,1-5H3/i1D3,6D,7D
- InChI Key： LTOLNTYOBPPFLS-XUYCAUAGSA-N
- SMILES： S1C(C([2H])([2H])[2H])=C([2H])C([2H])=C1B1OC(C)(C)C(C)(C)O1
Computed Properties
- Exact Mass: 229.1356149Da
- Monoisotopic Mass: 229.1356149Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 239
- 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
4,4,5,5-tetramethyl-2-(5-(methyl-d3)thiophen-2-yl-3,4-d2)-1,3,2-dioxaborolane Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
2241877-20-1 (4,4,5,5-tetramethyl-2-(5-(methyl-d3)thiophen-2-yl-3,4-d2)-1,3,2-dioxaborolane) Related Products
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