1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol
TL;DR: 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol (CAS 338967-13-8) is a chemical compound with molecular formula C12H12Cl2N2OS and molecular weight 302.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1H-imidazole-2-thione
Also Known As: 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol, 1-[2,4-dichloro-5-(propan-2-yloxy)phenyl]-1H-imidazole-2-thiol, 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1H-imidazole-2-thione, 3-(2,4-dichloro-5-isopropoxy-phenyl)-1H-imidazole-2-thione
| Molecular Formula | C12H12Cl2N2OS |
|---|---|
| Molecular Weight | 302.00 g/mol |
| LogP | 4.62889 |
| Topological Polar Surface Area | 29.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.00473 |
| Heavy Atoms | 18 |
| Complexity | 618.7802 |
Chemical Identifiers
| CAS Number | 338967-13-8 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C(=C1)N2C=CNC2=S)Cl)Cl |
Product Overview
1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol (CAS 338967-13-8), with molecular formula C12H12Cl2N2OS and molecular weight 302.00 g/mol. IUPAC: 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1H-imidazole-2-thione.
Chemical Property Profile of 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol
Property Insights of 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol
The XLogP value of 4.62889 indicates that 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.95 Ų, 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol has 1 hydrogen bond donor(s) and 2 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 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol?
The CAS number of 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol is 338967-13-8.
What is the molecular formula of 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol?
The molecular formula of 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol is C12H12Cl2N2OS.
What is the molecular weight of 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol?
The molecular weight of 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol is 302.00 g/mol.
Where can I buy 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol?
You can request a quote for 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.