5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one
TL;DR: 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one (CAS 51009-65-5) is a chemical compound with molecular formula C14H17N3OS and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one, 5-{[4-(diethylamino)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one, AE-848/08323049, 4-Imidazolidinone,5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-, (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C14H17N3OS |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.10922 |
| Heavy Atoms | 19 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 51009-65-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2 |
| InChIKey | RHTNYOJDJNSDCD-FMIVXFBMSA-N |
Product Overview
5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one (CAS 51009-65-5), with molecular formula C14H17N3OS and molecular weight 275.11 g/mol. IUPAC: (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one
Property Insights of 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one. Following Lipinski's Rule of Five, 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one has 2 hydrogen bond donor(s) and 3 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 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one?
The CAS number of 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one is 51009-65-5.
What is the molecular formula of 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one?
The molecular formula of 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one is C14H17N3OS.
What is the molecular weight of 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one?
The molecular weight of 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one is 275.11 g/mol.
Where can I buy 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one?
You can request a quote for 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Diethylamino-benzylidene)-2-thioxo-imidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.