Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride
TL;DR: Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride (CAS 64039-29-8) is a chemical compound with molecular formula C8H22Cl3N5S2 and molecular weight 357.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N'-[[(E)-[amino(ethylsulfanyl)methylidene]amino]-ethylamino]carbamimidothioate;trihydrochloride
Also Known As: Ethyl-di(isothioureaethyl)amine trihydrochloride, Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride, Carbamimidothioic acid, (ethylimino)di-2,1-ethanediyl ester, trihydrochloride, (E,E)-[(1E,3E)-2-Ethyltriazane-1,3-diylidene]bis[1-(ethylsulfanyl)methanamine]--hydrogen chloride (1/3), RefChem:375788
| Molecular Formula | C8H22Cl3N5S2 |
|---|---|
| Molecular Weight | 357.04 g/mol |
| LogP | 2.5393 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.0382 |
| Heavy Atoms | 18 |
| Complexity | 218.77232 |
Chemical Identifiers
| CAS Number | 64039-29-8 |
|---|---|
| SMILES | CCN(/N=C(/SCC)\N)/N=C(/SCC)\N.Cl.Cl.Cl |
Product Overview
Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride (CAS 64039-29-8), with molecular formula C8H22Cl3N5S2 and molecular weight 357.04 g/mol. IUPAC: ethyl N'-[[(E)-[amino(ethylsulfanyl)methylidene]amino]-ethylamino]carbamimidothioate;trihydrochloride.
Chemical Property Profile of Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride
Property Insights of Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride
The XLogP value of 2.5393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride. Following Lipinski's Rule of Five, Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride?
The CAS number of Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride is 64039-29-8.
What is the molecular formula of Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride?
The molecular formula of Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride is C8H22Cl3N5S2.
What is the molecular weight of Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride?
The molecular weight of Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride is 357.04 g/mol.
Where can I buy Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride?
You can request a quote for Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, N,N'-ethyliminobis(2-ethyl-2-thio-, trihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.