5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione
TL;DR: 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione (CAS 688791-48-2) is a chemical compound with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione
Also Known As: 4-(2H-1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-2,3-dihydro-1H-imidazole-2-thione, F0919-6506, 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione, 4-(benzo[d][1,3]dioxol-5-yl)-1-(o-tolyl)-1H-imidazole-2(3H)-thione, 4-benzo[1,3]dioxol-5-yl-1-(2-methylphenyl)-3H-imidazole-2-thione
| Molecular Formula | C17H14N2O2S |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 4.23901 |
| Topological Polar Surface Area | 39.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.0776 |
| Heavy Atoms | 22 |
| Complexity | 911.0176 |
Chemical Identifiers
| CAS Number | 688791-48-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C=C(NC2=S)C3=CC4=C(C=C3)OCO4 |
Product Overview
5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione (CAS 688791-48-2), with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione.
Chemical Property Profile of 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione
Property Insights of 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione
The XLogP value of 4.23901 indicates that 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.18 Ų, 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione has 1 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-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione?
The CAS number of 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione is 688791-48-2.
What is the molecular formula of 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione?
The molecular formula of 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione is C17H14N2O2S.
What is the molecular weight of 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione?
The molecular weight of 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione is 310.08 g/mol.
Where can I buy 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione?
You can request a quote for 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)-1H-imidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.