Cas no 2223051-16-7 (5-(Methyl-13C, d3)thiophene-2-boronic acid pinacol ester)
2223051-16-7 structure
Product Name:5-(Methyl-13C, d3)thiophene-2-boronic acid pinacol ester
CAS No:2223051-16-7
MF:C11H17BO2S
MW:228.138622045517
CID:6810849
PubChem ID:66520054
Update Time:2025-03-03
5-(Methyl-13C, d3)thiophene-2-boronic acid pinacol ester Chemical and Physical Properties
Names and Identifiers
-
- 5-(Methyl-13C, d3)thiophene-2-boronic acid pinacol ester
- AKOS015941809
- CS-18304
- 2223051-16-7
-
- Inchi： 1S/C11H17BO2S/c1-8-6-7-9(15-8)12-13-10(2,3)11(4,5)14-12/h6-7H,1-5H3/i1+1D3
- InChI Key： LTOLNTYOBPPFLS-KQORAOOSSA-N
- SMILES： S1C([13C]([2H])([2H])[2H])=CC=C1B1OC(C)(C)C(C)(C)O1
Computed Properties
- Exact Mass: 228.1264162Da
- Monoisotopic Mass: 228.1264162Da
- Isotope Atom Count: 4
- 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
5-(Methyl-13C, d3)thiophene-2-boronic acid pinacol ester Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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