TL;DR: Phosphorodichloridodithioic acid, propyl ester (CAS 5390-61-4) is a chemical compound with molecular formula C3H7Cl2PS2 and molecular weight 207.91039 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dichloro-propylsulfanyl-sulfanylidene-λ5-phosphane
Also Known As: Propyl phosphorodichloridodithioate, Propyl dichlorodithiophosphate, propyldichlorodithiophosphate, Phosphorodichloridodithioic acid, propyl ester, S-propyl dichlorophosphorodithioate
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C3H7Cl2PS2 |
| Molecular Weight | 207.91039 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.91039 Da |
| Heavy Atoms | 8 |
| Complexity | 99.0 |
| SMILES | CCCSP(=S)(Cl)Cl |
| InChIKey | LYNQYRBGWINIFJ-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Phosphorodichloridodithioic acid, propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, Phosphorodichloridodithioic acid, propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorodichloridodithioic acid, propyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphorodichloridodithioic acid, propyl ester is 5390-61-4.
The molecular formula of Phosphorodichloridodithioic acid, propyl ester is C3H7Cl2PS2.
The molecular weight of Phosphorodichloridodithioic acid, propyl ester is 207.91039 g/mol.
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