3-Chloro-4-(methylthio)phenylboronic Acid - CAS 877383-14-7
Catalog: |
BB038614 |
Product Name: |
3-Chloro-4-(methylthio)phenylboronic Acid |
CAS: |
877383-14-7 |
Synonyms: |
[3-chloro-4-(methylthio)phenyl]boronic acid; (3-chloro-4-methylsulfanylphenyl)boronic acid |
IUPAC Name: | (3-chloro-4-methylsulfanylphenyl)boronic acid |
Description: | 3-Chloro-4-(methylthio)phenylboronic Acid (CAS# 877383-14-7) is a useful research chemical. |
Molecular Weight: | 202.47 |
Molecular Formula: | C7H8ClO2SB |
Canonical SMILES: | B(C1=CC(=C(C=C1)SC)Cl)(O)O |
InChI: | InChI=1S/C7H8BClO2S/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3 |
InChI Key: | XHRBBKXFCXFGTQ-UHFFFAOYSA-N |
LogP: | 0.74170 |
Publication Number | Title | Priority Date |
US-2010069381-A1 | Gsk-3betainhibitor | 20060803 |
US-8492378-B2 | GSK-3β inhibitor | 20060803 |
WO-2008016123-A1 | GSK-3β INHIBITOR | 20060803 |
EP-1784388-B1 | Biphenyloxyacetic acid derivatives for the treatment of respiratory disease | 20040824 |
EP-1784388-B3 | Biphenyloxyacetic acid derivatives for the treatment of respiratory disease | 20040824 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0026585 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0026585 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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