Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2)
TL;DR: Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2) (CAS 56643-20-0) is a chemical compound with molecular formula C7H20N2O7P2S2 and molecular weight 370.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-hydroxy-3-(2-phosphonosulfanylethylamino)propyl]amino]ethylsulfanylphosphonic acid
Also Known As: Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2), Phosphorothioic acid, S-ester with 2-hydroxytrimethylenediiminodiethanethiol (2:1), 2-Propanol, 1,3-bis[[2-(phosphonothio)ethyl]amino]-, 3,4-bis-diphenylphosphanyl-1-phenyl-pyrrole-2,5-dione, 2-[[2-hydroxy-3- propyl]amino]ethylsulfanylphosphonicacid
| Molecular Formula | C7H20N2O7P2S2 |
|---|---|
| Molecular Weight | 370.02 g/mol |
| LogP | -8.6 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 370.0187 |
| Heavy Atoms | 20 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 56643-20-0 |
|---|---|
| SMILES | C(CSP(=O)(O)O)NCC(CNCCSP(=O)(O)O)O |
| InChIKey | AEYOOYGXUSCILK-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2) (CAS 56643-20-0), with molecular formula C7H20N2O7P2S2 and molecular weight 370.02 g/mol. IUPAC: 2-[[2-hydroxy-3-(2-phosphonosulfanylethylamino)propyl]amino]ethylsulfanylphosphonic acid.
Chemical Property Profile of Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2)
Property Insights of Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2)
The XLogP value of -8.6 indicates that Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.0 Ų indicates high polarity, suggesting Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2) has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2)?
The CAS number of Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2) is 56643-20-0.
What is the molecular formula of Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2)?
The molecular formula of Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2) is C7H20N2O7P2S2.
What is the molecular weight of Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2)?
The molecular weight of Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2) is 370.02 g/mol.
Where can I buy Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2)?
You can request a quote for Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.