Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1)
TL;DR: Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1) (CAS 41789-38-2) is a chemical compound with molecular formula C12H32N4O6P2S2 and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-[2-[ethoxy(hydroxy)phosphoryl]ethyl]phosphinic acid;ethyl carbamimidothioate
Also Known As: 2-Ethyl-2-thiopseudourea ethylenebis(O-ethylphosphite) (2:1), Ethylene-bis-O-ethylphosphite-bis-S-ethyl-isothiuronium, Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1), diethyl ethane-1,2-diylbis[hydrogen(phosphonate)]- ethyl carbamimidothioate(1:2), Diethyl ethane-1,2-diylbis[hydrogen (phosphonate)]--ethyl carbamimidothioate (1/2)
| Molecular Formula | C12H32N4O6P2S2 |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 2.69614 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 454.12384 |
| Heavy Atoms | 26 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 41789-38-2 |
|---|---|
| SMILES | CCOP(=O)(CCP(=O)(O)OCC)O.CCSC(=N)N.CCSC(=N)N |
| InChIKey | ASGNURJWDGFUQS-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1) (CAS 41789-38-2), with molecular formula C12H32N4O6P2S2 and molecular weight 454.12 g/mol. IUPAC: ethoxy-[2-[ethoxy(hydroxy)phosphoryl]ethyl]phosphinic acid;ethyl carbamimidothioate.
Chemical Property Profile of Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1)
Property Insights of Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1)
The XLogP value of 2.69614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1). The TPSA of 243.0 Ų indicates high polarity, suggesting Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1) has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1)?
The CAS number of Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1) is 41789-38-2.
What is the molecular formula of Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1)?
The molecular formula of Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1) is C12H32N4O6P2S2.
What is the molecular weight of Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1)?
The molecular weight of Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1) is 454.12 g/mol.
Where can I buy Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1)?
You can request a quote for Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-ethyl-2-thio-, ethylenebis(O-ethylphosphite) (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.