![5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol structure](/static/products/6506/650617-52-0.webp)
5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 650617-52-0) is a chemical compound with molecular formula C11H9Cl2N5OS and molecular weight 328.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(4,5-dichloroimidazol-1-yl)methyl]furan-2-yl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol, 3-[5-[(4,5-dichloroimidazol-1-yl)methyl]furan-2-yl]-4-methyl-1H-1,2,4-triazole-5-thione, 5-(5-((4,5-Dichloro-1H-imidazol-1-yl)methyl)furan-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-{5-[(4,5-dichloroimidazol-1-yl)methyl]furan-2-yl}-4-methyl-1,2,4-triazole-3-thiol
| Molecular Formula | C11H9Cl2N5OS |
|---|---|
| Molecular Weight | 328.99 g/mol |
| LogP | 3.28929 |
| Topological Polar Surface Area | 64.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.99048 |
| Heavy Atoms | 20 |
| Complexity | 815.00134 |
Chemical Identifiers
| CAS Number | 650617-52-0 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CC=C(O2)CN3C=NC(=C3Cl)Cl |
Product Overview
5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 650617-52-0), with molecular formula C11H9Cl2N5OS and molecular weight 328.99 g/mol. IUPAC: 3-[5-[(4,5-dichloroimidazol-1-yl)methyl]furan-2-yl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.28929 indicates that 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol is 650617-52-0.
What is the molecular formula of 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol is C11H9Cl2N5OS.
What is the molecular weight of 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol is 328.99 g/mol.
Where can I buy 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2-furyl}-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.