Cas no 583886-80-0 (1,3,2-Dioxaborinane, 5,5-dimethyl-2-[2,2':5',2''-terthiophen]-5-yl-)
![1,3,2-Dioxaborinane, 5,5-dimethyl-2-[2,2':5',2''-terthiophen]-5-yl- structure](https://ossimg.kuujia.com/scimg/584000/583886-80-0x500.png)
583886-80-0 structure
Product Name:1,3,2-Dioxaborinane, 5,5-dimethyl-2-[2,2':5',2''-terthiophen]-5-yl-
CAS No:583886-80-0
MF:C17H17BO2S3
MW:360.321680784225
CID:342252
PubChem ID:10904479
Update Time:2025-04-19
1,3,2-Dioxaborinane, 5,5-dimethyl-2-[2,2':5',2''-terthiophen]-5-yl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,2-Dioxaborinane, 5,5-dimethyl-2-[2,2':5',2''-terthiophen]-5-yl-
- 5,5-dimethyl-2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1,3,2-dioxaborinane
- DTXSID60447856
- 583886-80-0
-
- Inchi： 1S/C17H17BO2S3/c1-17(2)10-19-18(20-11-17)16-8-7-15(23-16)14-6-5-13(22-14)12-4-3-9-21-12/h3-9H,10-11H2,1-2H3
- InChI Key： PWNJYTXBQBXWGB-UHFFFAOYSA-N
- SMILES： S1C(C2=CC=C(C3=CC=CS3)S2)=CC=C1B1OCC(C)(C)CO1
Computed Properties
- Exact Mass: 359.05211
- Monoisotopic Mass: 360.0483735g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 413
- 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: 103?2
Experimental Properties
- PSA: 18.46
- LogP: 4.97330
1,3,2-Dioxaborinane, 5,5-dimethyl-2-[2,2':5',2''-terthiophen]-5-yl- Related Literature
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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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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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