N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol
TL;DR: N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol (CAS 87544-56-7) is a chemical compound with molecular formula C26H22N4O2S2 and molecular weight 486.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol-4-yl]carbamothioyl]benzamide
Also Known As: N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol, N-{[3-Benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl]carbamothioyl}benzamide, N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol-4-yl]carbamothioyl]benzamide, N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-thioxo-imidazol-4-yl]carbamothioyl]benzamide, Benzamide, N-[[[3-benzoyl-1-(2,6-dimethylphenyl)-2,3-dihydro-2-thioxo-1H-imidazol-4-yl]amino]thioxomethyl]-
| Molecular Formula | C26H22N4O2S2 |
|---|---|
| Molecular Weight | 486.12 g/mol |
| LogP | 5.44043 |
| Topological Polar Surface Area | 68.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.1184 |
| Heavy Atoms | 34 |
| Complexity | 1420.6644 |
Chemical Identifiers
| CAS Number | 87544-56-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C=C(N(C2=S)C(=O)C3=CC=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4 |
Product Overview
N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol (CAS 87544-56-7), with molecular formula C26H22N4O2S2 and molecular weight 486.12 g/mol. IUPAC: N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol-4-yl]carbamothioyl]benzamide.
Chemical Property Profile of N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol
Property Insights of N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol
The XLogP value of 5.44043 indicates that N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol. Following Lipinski's Rule of Five, N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol?
The CAS number of N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol is 87544-56-7.
What is the molecular formula of N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol?
The molecular formula of N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol is C26H22N4O2S2.
What is the molecular weight of N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol?
The molecular weight of N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol is 486.12 g/mol.
Where can I buy N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol?
You can request a quote for N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.