Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate
TL;DR: Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate (CAS 63980-94-9) is a chemical compound with molecular formula C6H19N2O4PS and molecular weight 246.08032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid;hydrate
Also Known As: Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate, S-2-((3-Methylaminopropyl)amino)ethyl dihydrogen phosphorothioate hydrate, Ethanethiol, 2-((3-methylaminopropyl)amino)-, dihydrogen phosphate (ester), hydrate, Phosphorothioic acid, S-ester with 2-((3-methylaminopropyl)amino)ethanethiol, hydrate, 2-[3-(methylamino)propylamino]ethylsulfanylphosphonic acid hydrate
Technical Specifications
| Molecular Formula | C6H19N2O4PS |
| Molecular Weight | 246.08032 g/mol |
| XLogP | -0.81 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 246.08032 Da |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
| SMILES | CNCCCNCCSP(=O)(O)O.O |
| InChIKey | CRQCPVNYRRBQTD-UHFFFAOYSA-N |
Chemical Property Profile of Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate
Property Insights of Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate
The XLogP value of -0.81 indicates that Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate has 5 hydrogen bond donor(s) and 7 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-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate?
The CAS number of Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate is 63980-94-9.
What is the molecular formula of Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate?
The molecular formula of Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate is C6H19N2O4PS.
What is the molecular weight of Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate?
The molecular weight of Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate is 246.08032 g/mol.
Where can I buy Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate?
You can request a quote for Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate?
Yes, CoreyChem provides custom synthesis services for Phosphorothioic acid, S-(2-((3-methylaminopropyl)amino)ethyl) ester, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.