3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one
TL;DR: 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one (CAS 477889-52-4) is a chemical compound with molecular formula C7H12N2O3S and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: 3-(2,2-dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one, 3-(2,2-dimethoxyethyl)-2-thioxotetrahydro-4H-imidazol-4-one, 2R-0265, 3-(2,2-dimethoxyethyl)-2-thioxo-imidazolidin-4-one
| Molecular Formula | C7H12N2O3S |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | -0.678 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.05687 |
| Heavy Atoms | 13 |
| Complexity | 201.78319 |
Chemical Identifiers
| CAS Number | 477889-52-4 |
|---|---|
| SMILES | COC(CN1C(=O)CNC1=S)OC |
Product Overview
3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one (CAS 477889-52-4), with molecular formula C7H12N2O3S and molecular weight 204.06 g/mol. IUPAC: 3-(2,2-dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one
Property Insights of 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one
The XLogP value of -0.678 indicates that 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.8 Ų, 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one has 1 hydrogen bond donor(s) and 4 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 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one?
The CAS number of 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one is 477889-52-4.
What is the molecular formula of 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one?
The molecular formula of 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one is C7H12N2O3S.
What is the molecular weight of 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one?
The molecular weight of 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one is 204.06 g/mol.
Where can I buy 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one?
You can request a quote for 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-Dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.