TL;DR: Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]- (CAS 191411-86-6) is a chemical compound with molecular formula C10H13O4PS and molecular weight 260.02722 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-hydroxyphenyl)sulfanylbut-1-enylphosphonic acid
Also Known As: Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-, 4-(2-hydroxyphenyl)sulfanylbut-1-enylphosphonic acid, {4-[(2-hydroxyphenyl)sulfanyl]but-1-en-1-yl}phosphonic acid
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H13O4PS |
| Molecular Weight | 260.02722 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.02722 Da |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
| SMILES | C1=CC=C(C(=C1)O)SCCC=CP(=O)(O)O |
| InChIKey | GHNIEXOPSISMGX-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-. Following Lipinski's Rule of Five, Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]- is 191411-86-6.
The molecular formula of Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]- is C10H13O4PS.
The molecular weight of Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]- is 260.02722 g/mol.
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