Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate
TL;DR: Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate (CAS 63980-92-7) is a chemical compound with molecular formula C7H27N2O7PS and molecular weight 314.12766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(methylamino)butylamino]ethylsulfanylphosphonic acid;tetrahydrate
Also Known As: 3-aminobenzenesulfonyl fluoride sulfate(1:1), S-2-((4-Methylaminobutyl)amino)ethyl dihydrogen phosphorothioate tetrahydrate, Ethanethiol, 2-((4-methylaminobutyl)amino)-, dihydrogen phosphate (ester) tetrahydrate, Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate, Phosphorothioic acid, S-ester with 2-((4-methylaminobutyl)amino)ethanethiol, tetrahydrate
Technical Specifications
| Molecular Formula | C7H27N2O7PS |
| Molecular Weight | 314.12766 g/mol |
| XLogP | -2.9 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 314.12766 Da |
| Heavy Atoms | 18 |
| Complexity | 176.0 |
| SMILES | CNCCCCNCCSP(=O)(O)O.O.O.O.O |
| InChIKey | JBGSYWHTDSEUFB-UHFFFAOYSA-N |
Chemical Property Profile of Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate
Property Insights of Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate
The XLogP value of -2.9 indicates that Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate?
The CAS number of Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate is 63980-92-7.
What is the molecular formula of Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate?
The molecular formula of Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate is C7H27N2O7PS.
What is the molecular weight of Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate?
The molecular weight of Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate is 314.12766 g/mol.
Where can I buy Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate?
You can request a quote for Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate?
Yes, CoreyChem provides custom synthesis services for Phosphorothioic acid, S-(2-((4-methylaminobutyl)amino)ethyl) ester, tetrahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.