5-Cyanothiophene-2-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C11H14NO2SB
Molecular Weight
235.11
Description
5-Cyanothiophene-2-boronic Acid Pinacol Ester (CAS# 676501-85-2) is a useful research chemical.
Synonyms
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophenecarbonitrile; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrile
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrile
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C#N
InChI
InChI=1S/C11H14BNO2S/c1-10(2)11(3,4)15-12(14-10)9-6-5-8(7-13)16-9/h5-6H,1-4H3
InChI Key
LKRPJAKTFWEYGA-UHFFFAOYSA-N
Melting Point
79-82 °C
Purity
97 %
Storage
2-8 °C
LogP
0.87338
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Danger
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
235.0838300 g/mol
Monoisotopic Mass
235.0838300 g/mol
Topological Polar Surface Area
70.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
320
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| KR-20200017170-A | Novel pyridine derivatives having inhibition activity against SHIP2 and pharmaceutical compositions with the components | 2018-08-08 |
| US-2020369659-A1 | Selective ligands for tau aggregates | 2017-08-04 |
| US-2019327974-A1 | Synergists for improved pesticides | 2017-01-09 |
| WO-2018127928-A1 | Synergists for improved pesticides | 2017-01-09 |
| BR-102015008298-A2 | metalloenzyme inhibitor compounds as fungicides | 2014-04-15 |
| TW-201542090-A | Metalloenzyme inhibitor compound as a fungicide (1) | 2014-04-15 |
| US-10167300-B2 | Metalloenzyme inhibitor compounds as fungicides | 2014-04-15 |
| US-2015291632-A1 | Metalloenzyme inhibitor compounds as fungicides | 2014-04-15 |
| US-2018298038-A1 | Metalloenzyme inhibitor compounds as fungicides | 2014-04-15 |
| US-9944664-B2 | Metalloenzyme inhibitor compounds as fungicides | 2014-04-15 |
