4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione
TL;DR: 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione (CAS 33705-38-3) is a chemical compound with molecular formula C13H18N2S and molecular weight 234.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-adamantyl)-1,3-dihydroimidazole-2-thione
Also Known As: 4-(1-adamantyl)-2-mercaptoimidazole, 5-Adamantan-1-yl-1H-imidazole-2-thiol, BAS 00278353, 4-(1-adamantyl)-1,3-dihydroimidazole-2-thione, 4-adamantan-1-yl-1,3-dihydro-imidazole-2-thione
| Molecular Formula | C13H18N2S |
|---|---|
| Molecular Weight | 234.12 g/mol |
| LogP | 3.54009 |
| Topological Polar Surface Area | 31.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.11906 |
| Heavy Atoms | 16 |
| Complexity | 434.99298 |
Chemical Identifiers
| CAS Number | 33705-38-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CNC(=S)N4 |
Product Overview
4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione (CAS 33705-38-3), with molecular formula C13H18N2S and molecular weight 234.12 g/mol. IUPAC: 4-(1-adamantyl)-1,3-dihydroimidazole-2-thione.
Chemical Property Profile of 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione
Property Insights of 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione
The XLogP value of 3.54009 indicates that 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.58 Ų, 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione has 2 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-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione?
The CAS number of 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione is 33705-38-3.
What is the molecular formula of 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione?
The molecular formula of 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione is C13H18N2S.
What is the molecular weight of 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione?
The molecular weight of 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione is 234.12 g/mol.
Where can I buy 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione?
You can request a quote for 4-Adamantan-1-yl-1,3-dihydro-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 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Adamantan-1-yl-1,3-dihydro-imidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.