TL;DR: 3-Bromothiophene-2-boronic acid (CAS 162607-26-3) is a chemical compound with molecular formula C4H4BBrO2S and molecular weight 205.92084 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-bromothiophen-2-yl)boronic acid
Also Known As: 3-Bromothiophene-2-boronic acid, (3-bromothiophen-2-yl)boronic Acid, 3-bromothiophen-2-ylboronic acid, rarechem ah pb 0068, DIHYDROSINAPYLALCOHOL
| Molecular Formula | C4H4BBrO2S |
| Molecular Weight | 205.92084 g/mol |
| XLogP | 0.1904 |
| Topological Polar Surface Area (TPSA) | 68.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.92084 Da |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
| SMILES | B(C1=C(C=CS1)Br)(O)O |
| InChIKey | QDTJETFCBPOSSV-UHFFFAOYSA-N |
The XLogP value of 0.1904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromothiophene-2-boronic acid. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromothiophene-2-boronic acid. Following Lipinski's Rule of Five, 3-Bromothiophene-2-boronic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Bromothiophene-2-boronic acid is 162607-26-3.
The molecular formula of 3-Bromothiophene-2-boronic acid is C4H4BBrO2S.
The molecular weight of 3-Bromothiophene-2-boronic acid is 205.92084 g/mol.
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