![5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one structure](/static/products/806/80604-00-8.png)
5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one
TL;DR: 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one (CAS 80604-00-8) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one
Also Known As: BAS 00391671, 5-(2-oxo-2-(p-tolyl)ethyl)-2-thioxoimidazolidin-4-one, 5-(2-Oxo-2-p-tolyl-ethyl)-2-thioxo-imidazolidin-4-one, 5-[2-(4-methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one, 5-[2-(4-methylphenyl)-2-oxoethyl]-2-thioxoimidazolidin-4-one
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 0.94072 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 481.78394 |
Chemical Identifiers
| CAS Number | 80604-00-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC2C(=O)NC(=S)N2 |
Product Overview
5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one (CAS 80604-00-8), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 5-[2-(4-methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one
Property Insights of 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one
The XLogP value of 0.94072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one. With a topological polar surface area (TPSA) of 58.2 Ų, 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-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-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one?
The CAS number of 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one is 80604-00-8.
What is the molecular formula of 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one?
The molecular formula of 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one is C12H12N2O2S.
What is the molecular weight of 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one?
The molecular weight of 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one is 248.06 g/mol.
Where can I buy 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one?
You can request a quote for 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-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-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(4-Methylphenyl)-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.