1-butyl-4,5-dimethyl-1H-imidazole-2-thiol
TL;DR: 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol (CAS 156027-20-2) 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.
3-butyl-4,5-dimethyl-1H-imidazole-2-thione
Also Known As: 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol, 3-butyl-4,5-dimethyl-1H-imidazole-2-thione, 1-butyl-4,5-dimethyl-3H-imidazole-2-thione, AB00988784-01
| Molecular Formula | C9H16N2S |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | 2.96263 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.10342 |
| Heavy Atoms | 12 |
| Complexity | 308.8187 |
Chemical Identifiers
| CAS Number | 156027-20-2 |
|---|---|
| SMILES | CCCCN1C(=C(NC1=S)C)C |
Product Overview
1-butyl-4,5-dimethyl-1H-imidazole-2-thiol (CAS 156027-20-2), with molecular formula C9H16N2S and molecular weight 184.10 g/mol. IUPAC: 3-butyl-4,5-dimethyl-1H-imidazole-2-thione.
Chemical Property Profile of 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol
Property Insights of 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol
The XLogP value of 2.96263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol. With a topological polar surface area (TPSA) of 20.72 Ų, 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butyl-4,5-dimethyl-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 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol?
The CAS number of 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol is 156027-20-2.
What is the molecular formula of 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol?
The molecular formula of 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol is C9H16N2S.
What is the molecular weight of 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol?
The molecular weight of 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol is 184.10 g/mol.
Where can I buy 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol?
You can request a quote for 1-butyl-4,5-dimethyl-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-butyl-4,5-dimethyl-1H-imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-4,5-dimethyl-1H-imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.