Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate
TL;DR: Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate (CAS 122413-80-3) is a chemical compound with molecular formula C4H13NO6P2S2 and molecular weight 296.96594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-phosphonosulfanylethylamino)ethylsulfanylphosphonic acid
Also Known As: Bis(2-thiophosphatoethyl)amine tetrahydrate, 2,2'-Iminobisethanethiol bis(dihydrogen phosphate) tetrahydrate, Phosphorothioic acid, S,S'-iminodiethylene ester, tetrahydrate, Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate, 2-(2-phosphonosulfanylethylamino)ethylsulfanylphosphonic acid
Technical Specifications
| Molecular Formula | C4H13NO6P2S2 |
| Molecular Weight | 296.96594 g/mol |
| XLogP | -5.3 |
| Topological Polar Surface Area (TPSA) | 178.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 296.96594 Da |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
| SMILES | C(CSP(=O)(O)O)NCCSP(=O)(O)O |
| InChIKey | BSYDSZJNEYXRQH-UHFFFAOYSA-N |
Chemical Property Profile of Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate
Property Insights of Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate
The XLogP value of -5.3 indicates that Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.0 Ų indicates high polarity, suggesting Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate?
The CAS number of Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate is 122413-80-3.
What is the molecular formula of Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate?
The molecular formula of Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate is C4H13NO6P2S2.
What is the molecular weight of Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate?
The molecular weight of Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate is 296.96594 g/mol.
Where can I buy Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate?
You can request a quote for Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate?
Yes, CoreyChem provides custom synthesis services for Ethanethiol, 2,2'-iminobis-, bis(dihydrogen phosphate) (ester), tetrahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.