3-(Ethylthio)phenylboronic Acid - CAS 870718-05-1
Catalog: |
BB038235 |
Product Name: |
3-(Ethylthio)phenylboronic Acid |
CAS: |
870718-05-1 |
Synonyms: |
[3-(ethylthio)phenyl]boronic acid; (3-ethylsulfanylphenyl)boronic acid |
IUPAC Name: | (3-ethylsulfanylphenyl)boronic acid |
Description: | 3-(Ethylthio)phenylboronic Acid (CAS# 870718-05-1) is a useful research chemical. |
Molecular Weight: | 182.05 |
Molecular Formula: | C8H11O2SB |
Canonical SMILES: | B(C1=CC(=CC=C1)SCC)(O)O |
InChI: | InChI=1S/C8H11BO2S/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3 |
InChI Key: | CZODYJDCHKOBID-UHFFFAOYSA-N |
Boiling Point: | 351.7 °C at 760 mmHg |
Melting Point: | 118-122 °C (lit.) |
Density: | 1.18 g/cm3 |
MDL: | MFCD03092930 |
LogP: | 0.47840 |
Publication Number | Title | Priority Date |
EP-3878891-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 20200310 |
WO-2021180795-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 20200310 |
EP-3191454-A1 | Cyclopropanecarboxylic acid gpr120 modulators | 20140909 |
EP-3191454-B1 | Cyclopropanecarboxylic acid gpr120 modulators | 20140909 |
US-2017253554-A1 | Cyclopropanecarboxylic acid gpr120 modulators | 20140909 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0572809 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0572809 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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