5-Phenylthiophene-2-boronic Acid Pinacol Ester - CAS 459409-74-6
Catalog: |
BB026026 |
Product Name: |
5-Phenylthiophene-2-boronic Acid Pinacol Ester |
CAS: |
459409-74-6 |
Synonyms: |
4,4,5,5-tetramethyl-2-(5-phenyl-2-thiophenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(5-phenylthiophen-2-yl)-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-(5-phenylthiophen-2-yl)-1,3,2-dioxaborolane |
Description: | 5-Phenylthiophene-2-boronic Acid Pinacol Ester (CAS# 459409-74-6 ) is a useful research chemical. |
Molecular Weight: | 286.20 |
Molecular Formula: | C16H19O2SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C3=CC=CC=C3 |
InChI: | InChI=1S/C16H19BO2S/c1-15(2)16(3,4)19-17(18-15)14-11-10-13(20-14)12-8-6-5-7-9-12/h5-11H,1-4H3 |
InChI Key: | BOTJOCNWKJVWRR-UHFFFAOYSA-N |
Storage: | Keep in dark place. Sealed in dry. <-20 °C |
MDL: | MFCD08063141 |
LogP: | 3.71430 |
Precautionary Statement: | P261-P305+P351+P338 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2509565-A1 | Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds | 20021220 |
EP-1572693-A1 | Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds | 20021220 |
JP-2006514043-A | Mitogen-activated protein kinase-compound that inhibits activated protein kinase-2 | 20021220 |
US-2004209897-A1 | Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds | 20021220 |
WO-2004058762-A1 | Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds | 20021220 |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.1198812 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.1198812 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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