4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile
TL;DR: 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile (CAS 478039-80-4) is a chemical compound with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile
Also Known As: 4,5-dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile, 4,5-dimethoxy-2-(5-oxo-2-thioxo-1-imidazolidinyl)benzenecarbonitrile, 3R-0201, 4,5-dimethoxy-2-(5-oxo-2-thioxo-imidazolidin-1-yl)benzonitrile, 4,5-dimethoxy-2-(5-oxo-2-sulfanylidene-imidazolidin-1-yl)benzonitrile
| Molecular Formula | C12H11N3O3S |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 0.79658 |
| Topological Polar Surface Area | 74.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.05212 |
| Heavy Atoms | 19 |
| Complexity | 578.6178 |
Chemical Identifiers
| CAS Number | 478039-80-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C#N)N2C(=O)CNC2=S)OC |
Product Overview
4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile (CAS 478039-80-4), with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol. IUPAC: 4,5-dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile.
Chemical Property Profile of 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile
Property Insights of 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile
The XLogP value of 0.79658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile. The TPSA of 74.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile. Following Lipinski's Rule of Five, 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile has 1 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 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile?
The CAS number of 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile is 478039-80-4.
What is the molecular formula of 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile?
The molecular formula of 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile is C12H11N3O3S.
What is the molecular weight of 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile?
The molecular weight of 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile is 277.05 g/mol.
Where can I buy 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile?
You can request a quote for 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxy-2-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.