Cas no 748763-44-2 ((4-hexylthiophen-2-yl)boronic Acid)
748763-44-2 structure
Product Name:(4-hexylthiophen-2-yl)boronic Acid
CAS No:748763-44-2
MF:C10H17BO2S
MW:212.116781949997
CID:1773736
PubChem ID:53438262
Update Time:2025-04-21
(4-hexylthiophen-2-yl)boronic Acid Chemical and Physical Properties
Names and Identifiers
-
- (4-hexylthiophen-2-yl)boronic acid
- Boronic acid, (4-hexyl-2-thienyl)-
- 4-Hexylthiophene-2-boronic acid
- DTXSID00701227
- SCHEMBL793134
- (4-Hexyl-2-thienyl)-boronic acid
- 748763-44-2
- (4-hexylthiophen-2-yl)boronic Acid
-
- Inchi： 1S/C10H17BO2S/c1-2-3-4-5-6-9-7-10(11(12)13)14-8-9/h7-8,12-13H,2-6H2,1H3
- InChI Key： UODUZZODASYJTE-UHFFFAOYSA-N
- SMILES： S1C(B(O)O)=CC(=C1)CCCCCC
Computed Properties
- Exact Mass: 212.10400
- Monoisotopic Mass: 212.1042311g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 155
- 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: 68.7?2
Experimental Properties
- PSA: 68.70000
- LogP: 1.55070
(4-hexylthiophen-2-yl)boronic Acid Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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