![4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone structure](/static/products/5280/52800-65-4.webp)
4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone
TL;DR: 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone (CAS 52800-65-4) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(dimethylamino)phenyl]methylidene]-5-sulfanylideneimidazolidin-2-one
Also Known As: 4-[[4- phenyl]methylene]-5-thioxo-2-imidazolidinone, 4-[[4-(Dimethylamino)phenyl ]methylene]-5-thioxo-2-imidazolidinone, 4-[(4-dimethylaminophenyl)methylidene]-5-sulfanylidene-imidazolidin-2-one, 4-[(4-dimethylaminophenyl)methylidene]-5-sulfanylideneimidazolidin-2-one
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.7337 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 490.97714 |
Chemical Identifiers
| CAS Number | 52800-65-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C2C(=S)NC(=O)N2 |
Product Overview
4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone (CAS 52800-65-4), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: 4-[[4-(dimethylamino)phenyl]methylidene]-5-sulfanylideneimidazolidin-2-one.
Chemical Property Profile of 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone
Property Insights of 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone
The XLogP value of 1.7337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone. With a topological polar surface area (TPSA) of 44.37 Ų, 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone 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 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone?
The CAS number of 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone is 52800-65-4.
What is the molecular formula of 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone?
The molecular formula of 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone is C12H13N3OS.
What is the molecular weight of 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone?
The molecular weight of 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone is 247.08 g/mol.
Where can I buy 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone?
You can request a quote for 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.