5-Methylthiophene-2-boronic Acid Pinacol Ester - CAS 476004-80-5
Catalog: |
BB026349 |
Product Name: |
5-Methylthiophene-2-boronic Acid Pinacol Ester |
CAS: |
476004-80-5 |
Synonyms: |
4,4,5,5-tetramethyl-2-(5-methyl-2-thiophenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(5-methylthiophen-2-yl)-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-(5-methylthiophen-2-yl)-1,3,2-dioxaborolane |
Description: | 5-Methylthiophene-2-boronic Acid Pinacol Ester (CAS# 476004-80-5) is a useful research chemical. |
Molecular Weight: | 224.13 |
Molecular Formula: | C11H17O2SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C |
InChI: | InChI=1S/C11H17BO2S/c1-8-6-7-9(15-8)12-13-10(2,3)11(4,5)14-12/h6-7H,1-5H3 |
InChI Key: | LTOLNTYOBPPFLS-UHFFFAOYSA-N |
Boiling Point: | 308.2 ℃ at 760 mmHg |
Flash Point: | 221.0 °F |
Purity: | 95 % |
Density: | 0.937 g/mL at 25 ℃ (lit.) |
Appearance: | Light yellow clear liquid |
LogP: | 2.35570 |
Publication Number | Title | Priority Date |
AU-2021203261-B1 | Novel dioxoloisoquinolinone derivatives and use thereof | 20200813 |
US-2020392130-A1 | SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | 20190614 |
WO-2020249785-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 20190614 |
US-2021017169-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 20190614 |
WO-2020239656-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of hepatitis b | 20190529 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.1042311 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.1042311 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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