5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one
TL;DR: 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one (CAS 95474-46-7) is a chemical compound with molecular formula C12H9N3OS and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-dihydroimidazole-2-thione
Also Known As: 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one, 5-(1H-indol-3-ylmethylene)-2-thioxo-imidazolidin-4-one, 4-Imidazolidinone, 5-(1H-indol-3-ylmethylene)-2-thioxo-, 5-(INDOL-3-YLMETHYLENE)-2-THIOXOIMIDAZOLIDIN-4-ONE, (5Z)-5-[(1H-indol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C12H9N3OS |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 3.03439 |
| Topological Polar Surface Area | 64.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.04663 |
| Heavy Atoms | 17 |
| Complexity | 693.7715 |
Chemical Identifiers
| CAS Number | 95474-46-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC3=C(NC(=S)N3)O)C=N2 |
Product Overview
5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one (CAS 95474-46-7), with molecular formula C12H9N3OS and molecular weight 243.05 g/mol. IUPAC: 4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-dihydroimidazole-2-thione.
Chemical Property Profile of 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one
Property Insights of 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one
The XLogP value of 3.03439 indicates that 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one has 3 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-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one?
The CAS number of 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one is 95474-46-7.
What is the molecular formula of 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one?
The molecular formula of 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one is C12H9N3OS.
What is the molecular weight of 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one?
The molecular weight of 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one is 243.05 g/mol.
Where can I buy 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one?
You can request a quote for 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-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-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((1H-Indol-3-yl)methylene)-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.