![4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione structure](/static/products/6887/688791-45-9.webp)
4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione
TL;DR: 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione (CAS 688791-45-9) is a chemical compound with molecular formula C16H11ClN2O2S and molecular weight 330.02 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-(4-chlorophenyl)-1H-imidazole-2-thione
Also Known As: SDCCGSBI-0659415.P001, 4-(2H-1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-2,3-dihydro-1H-imidazole-2-thione, 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione, F0918-6745, 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1H-imidazole-2-thione
| Molecular Formula | C16H11ClN2O2S |
|---|---|
| Molecular Weight | 330.02 g/mol |
| LogP | 4.58399 |
| Topological Polar Surface Area | 39.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.02298 |
| Heavy Atoms | 22 |
| Complexity | 899.25446 |
Chemical Identifiers
| CAS Number | 688791-45-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CN(C(=S)N3)C4=CC=C(C=C4)Cl |
Product Overview
4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione (CAS 688791-45-9), with molecular formula C16H11ClN2O2S and molecular weight 330.02 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1H-imidazole-2-thione.
Chemical Property Profile of 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione
Property Insights of 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione
The XLogP value of 4.58399 indicates that 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-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, 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-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 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione?
The CAS number of 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione is 688791-45-9.
What is the molecular formula of 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione?
The molecular formula of 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione is C16H11ClN2O2S.
What is the molecular weight of 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione?
The molecular weight of 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione is 330.02 g/mol.
Where can I buy 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione?
You can request a quote for 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-1H-imidazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.