4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol
TL;DR: 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol (CAS 852217-79-9) is a chemical compound with molecular formula C9H16N2S and molecular weight 184.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-3-(2-methylpropyl)-1H-imidazole-2-thione
Also Known As: 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol, 4,5-dimethyl-3-(2-methylpropyl)-1H-imidazole-2-thione, 1-isobutyl-4,5-dimethyl-1,3-dihydro-2H-imidazole-2-thione, 4,5-dimethyl-1-(2-methylpropyl)-3H-imidazole-2-thione
| Molecular Formula | C9H16N2S |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | 2.81853 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.10342 |
| Heavy Atoms | 12 |
| Complexity | 319.7598 |
Chemical Identifiers
| CAS Number | 852217-79-9 |
|---|---|
| SMILES | CC1=C(N(C(=S)N1)CC(C)C)C |
Product Overview
4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol (CAS 852217-79-9), with molecular formula C9H16N2S and molecular weight 184.10 g/mol. IUPAC: 4,5-dimethyl-3-(2-methylpropyl)-1H-imidazole-2-thione.
Chemical Property Profile of 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol
Property Insights of 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol
The XLogP value of 2.81853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol. With a topological polar surface area (TPSA) of 20.72 Ų, 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol has 1 hydrogen bond donor(s) and 1 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 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol?
The CAS number of 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol is 852217-79-9.
What is the molecular formula of 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol?
The molecular formula of 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol is C9H16N2S.
What is the molecular weight of 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol?
The molecular weight of 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol is 184.10 g/mol.
Where can I buy 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol?
You can request a quote for 4,5-dimethyl-1-(2-methylpropyl)-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 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.