Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate
TL;DR: Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate (CAS 63980-98-3) is a chemical compound with molecular formula C12H33N2O5PS and molecular weight 348.18478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(octylamino)ethylamino]ethylsulfanylphosphonic acid;dihydrate
Also Known As: Thiourea, ethylidene-, S-2-((2-Octylaminoethyl)amino)ethyl dihydrogen phosphorothioate dihydrate, Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate, Ethanethiol, 2-((2-octylaminoethyl)amino)-, dihydrogen phosphate (ester) dihydrate, Phosphorothioic acid, S-ester with 2-((2-octylaminoethyl)amino)ethanethiol, dihydrate
Technical Specifications
| Molecular Formula | C12H33N2O5PS |
| Molecular Weight | 348.18478 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 348.18478 Da |
| Heavy Atoms | 21 |
| Complexity | 239.0 |
| SMILES | CCCCCCCCNCCNCCSP(=O)(O)O.O.O |
| InChIKey | AINWDCTYQQXGSV-UHFFFAOYSA-N |
Chemical Property Profile of Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate
Property Insights of Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate?
The CAS number of Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate is 63980-98-3.
What is the molecular formula of Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate?
The molecular formula of Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate is C12H33N2O5PS.
What is the molecular weight of Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate?
The molecular weight of Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate is 348.18478 g/mol.
Where can I buy Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate?
You can request a quote for Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate?
Yes, CoreyChem provides custom synthesis services for Phosphorothioic acid, S-(2-((2-octylaminoethyl)amino)ethyl) ester, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.