TL;DR: Phosphorotrithioic acid, S,S-dibutyl ester (CAS 142635-82-3) is a chemical compound with molecular formula C8H19OPS3 and molecular weight 258.03357 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(butylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane
Also Known As: S,S-Dibutyl phosphorotrithioate, Phosphorotrithioic acid, S,S-dibutyl ester, Phosphorotrithioicacid, S,S-dibutyl ester, S,S-Dibutyl hydrogen phosphorotrithioate, bis(butylsulfanyl)-hydroxy-sulfanylidene-
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H19OPS3 |
| Molecular Weight | 258.03357 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 258.03357 Da |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
| SMILES | CCCCSP(=S)(O)SCCCC |
| InChIKey | QYDIRRUCHOCVOK-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Phosphorotrithioic acid, S,S-dibutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorotrithioic acid, S,S-dibutyl ester. Following Lipinski's Rule of Five, Phosphorotrithioic acid, S,S-dibutyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphorotrithioic acid, S,S-dibutyl ester is 142635-82-3.
The molecular formula of Phosphorotrithioic acid, S,S-dibutyl ester is C8H19OPS3.
The molecular weight of Phosphorotrithioic acid, S,S-dibutyl ester is 258.03357 g/mol.
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