5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one
TL;DR: 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one (CAS 5174-78-7) is a chemical compound with molecular formula C8H10N4OS and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1H-imidazol-5-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one, 5-(1H-imidazol-5-ylmethyl)-3-methyl-2-thioxoimidazolidin-4-one, 5-(imidazol-5-ylmethyl)-3-methyl-2-thioxo-1,3-diazolidin-4-one, 5-(1(3)H-imidazol-4-ylmethyl)-3-methyl-2-thioxo-imidazolidin-4-one, 5-(1H-imidazol-4-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C8H10N4OS |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | -0.3327 |
| Topological Polar Surface Area | 61.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.05753 |
| Heavy Atoms | 14 |
| Complexity | 361.428 |
Chemical Identifiers
| CAS Number | 5174-78-7 |
|---|---|
| SMILES | CN1C(=O)C(NC1=S)CC2=CN=CN2 |
Product Overview
5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one (CAS 5174-78-7), with molecular formula C8H10N4OS and molecular weight 210.06 g/mol. IUPAC: 5-(1H-imidazol-5-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one
Property Insights of 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one
The XLogP value of -0.3327 indicates that 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-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-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one?
The CAS number of 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one is 5174-78-7.
What is the molecular formula of 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one?
The molecular formula of 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one is C8H10N4OS.
What is the molecular weight of 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one?
The molecular weight of 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one is 210.06 g/mol.
Where can I buy 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one?
You can request a quote for 5-((1H-imidazol-5-yl)methyl)-3-methyl-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-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((1H-imidazol-5-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.