1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione
TL;DR: 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione (CAS 852399-66-7) is a chemical compound with molecular formula C13H16N2S and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropyl)-4-phenyl-1H-imidazole-2-thione
Also Known As: 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione, 1-isobutyl-5-phenyl-1H-imidazole-2-thiol, 1-(2-methylpropyl)-5-phenyl-1H-imidazole-2-thiol, 3-(2-methylpropyl)-4-phenyl-1H-imidazole-2-thione, 1-Isobutyl-5-phenyl-1H-imidazole-2(3H)-thione
| Molecular Formula | C13H16N2S |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 3.86869 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.10342 |
| Heavy Atoms | 16 |
| Complexity | 508.2289 |
Chemical Identifiers
| CAS Number | 852399-66-7 |
|---|---|
| SMILES | CC(C)CN1C(=CNC1=S)C2=CC=CC=C2 |
Product Overview
1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione (CAS 852399-66-7), with molecular formula C13H16N2S and molecular weight 232.10 g/mol. IUPAC: 3-(2-methylpropyl)-4-phenyl-1H-imidazole-2-thione.
Chemical Property Profile of 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione
Property Insights of 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione
The XLogP value of 3.86869 indicates that 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.72 Ų, 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione 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-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione?
The CAS number of 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione is 852399-66-7.
What is the molecular formula of 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione?
The molecular formula of 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione is C13H16N2S.
What is the molecular weight of 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione?
The molecular weight of 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione is 232.10 g/mol.
Where can I buy 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione?
You can request a quote for 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-isobutyl-5-phenyl-1,3-dihydro-2H-imidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.