Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate
TL;DR: Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate (CAS 119395-99-2) is a chemical compound with molecular formula C5H5Li2N2O3PS and molecular weight 218.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dilithium;dioxido-oxo-(pyrimidin-4-ylmethylsulfanyl)-λ5-phosphane
Also Known As: Dilithium S-(4-pyrimidinylmethyl) phosphorothioate hydrate, Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate, 4-Pyrimidinemethanethiol, dihydrogen phosphate (ester), dilithium salt, hydrate, dilithium dioxido-oxo-(pyrimidin-4-ylmethylsulfanyl)-, Dilithium S-[(pyrimidin-4-yl)methyl] phosphorothioate
| Molecular Formula | C5H5Li2N2O3PS |
|---|---|
| Molecular Weight | 218.01 g/mol |
| LogP | -6.4535 |
| Topological Polar Surface Area | 88.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.00786 |
| Heavy Atoms | 14 |
| Complexity | 296.28806 |
Chemical Identifiers
| CAS Number | 119395-99-2 |
|---|---|
| SMILES | [Li+].[Li+].C1=CN=CN=C1CSP(=O)([O-])[O-] |
Product Overview
Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate (CAS 119395-99-2), with molecular formula C5H5Li2N2O3PS and molecular weight 218.01 g/mol. IUPAC: dilithium;dioxido-oxo-(pyrimidin-4-ylmethylsulfanyl)-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate
Property Insights of Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate
The XLogP value of -6.4535 indicates that Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate?
The CAS number of Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate is 119395-99-2.
What is the molecular formula of Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate?
The molecular formula of Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate is C5H5Li2N2O3PS.
What is the molecular weight of Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate?
The molecular weight of Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate is 218.01 g/mol.
Where can I buy Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate?
You can request a quote for Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.