Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate
TL;DR: Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate (CAS 119395-98-1) is a chemical compound with molecular formula C6H6Li2NO3PS and molecular weight 217.0126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dilithium;dioxido-oxo-(pyridin-4-ylmethylsulfanyl)-λ5-phosphane
Also Known As: Dilithium S-(4-pyridylmethyl) phosphorothioate trihydrate, Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate, 4-Pyridinemethanethiol, dihydrogen phosphate (ester), dilithium salt, trihydrate, dilithium dioxido-oxo-(pyridin-4-ylmethylsulfanyl)-, Dilithium S-[(pyridin-4-yl)methyl] phosphorothioate
Technical Specifications
| Molecular Formula | C6H6Li2NO3PS |
| Molecular Weight | 217.0126 g/mol |
| XLogP | -5.8485 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0126 Da |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
| SMILES | [Li+].[Li+].C1=CN=CC=C1CSP(=O)([O-])[O-] |
| InChIKey | VHOIERFAFNXXLK-UHFFFAOYSA-L |
Chemical Property Profile of Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate
Property Insights of Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate
The XLogP value of -5.8485 indicates that Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate?
The CAS number of Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate is 119395-98-1.
What is the molecular formula of Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate?
The molecular formula of Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate is C6H6Li2NO3PS.
What is the molecular weight of Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate?
The molecular weight of Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate is 217.0126 g/mol.
Where can I buy Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate?
You can request a quote for Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate?
Yes, CoreyChem provides custom synthesis services for Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.