TL;DR: Phosphorothioic acid, O,O-bis(2,4-dichlorophenyl) S-(1-methylethyl) ester (CAS 120244-68-0) is a chemical compound with molecular formula C15H13Cl4O3PS and molecular weight 443.9077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-1-[(2,4-dichlorophenoxy)-propan-2-ylsulfanylphosphoryl]oxybenzene
Also Known As: Phosphorothioic acid, O,O-bis(2,4-dichlorophenyl) S-(1-methylethyl) ester, O,O-Bis(2,4-dichlorophenyl) S-(propan-2-yl) phosphorothioate, 2,4-dichloro-1-[(2,4-dichlorophenoxy)-propan-2-ylsulfanyl-phosphoryl]oxy-benzene, 2,4-dichloro-1-[(2,4-dichlorophenoxy)-propan-2-ylsulfanylphosphoryl]oxybenzene
| Molecular Formula | C15H13Cl4O3PS |
| Molecular Weight | 443.9077 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.9077 Da |
| Heavy Atoms | 24 |
| Complexity | 424.0 |
| SMILES | CC(C)SP(=O)(OC1=C(C=C(C=C1)Cl)Cl)OC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | UHMLIJJUYGRFMA-UHFFFAOYSA-N |
The XLogP value of 6.9 indicates that Phosphorothioic acid, O,O-bis(2,4-dichlorophenyl) S-(1-methylethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-bis(2,4-dichlorophenyl) S-(1-methylethyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-bis(2,4-dichlorophenyl) S-(1-methylethyl) ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phosphorothioic acid, O,O-bis(2,4-dichlorophenyl) S-(1-methylethyl) ester is 120244-68-0.
The molecular formula of Phosphorothioic acid, O,O-bis(2,4-dichlorophenyl) S-(1-methylethyl) ester is C15H13Cl4O3PS.
The molecular weight of Phosphorothioic acid, O,O-bis(2,4-dichlorophenyl) S-(1-methylethyl) ester is 443.9077 g/mol.
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