1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione
TL;DR: 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione (CAS 643-91-4) is a chemical compound with molecular formula C11H12N2S and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylethyl)-1H-imidazole-2-thione
Also Known As: 1-(2-phenylethyl)-1H-imidazole-2-thiol, 1-Phenylethyl-2-mercaptoimidazole, Imidazole-2-thiol, 1-phenethyl-, TimTec1_000841, Imidazole, 2-mercapto-1-phenethyl-
| Molecular Formula | C11H12N2S |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07211 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 643-91-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C=CNC2=S |
| InChIKey | XBZXYFCIMSXPKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione (CAS 643-91-4), with molecular formula C11H12N2S and molecular weight 204.07 g/mol. IUPAC: 3-(2-phenylethyl)-1H-imidazole-2-thione.
Chemical Property Profile of 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione
Property Insights of 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione. With a topological polar surface area (TPSA) of 47.4 Ų, 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dihydro-1-(2-phenylethyl)-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 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione?
The CAS number of 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione is 643-91-4.
What is the molecular formula of 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione?
The molecular formula of 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione is C11H12N2S.
What is the molecular weight of 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione?
The molecular weight of 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione is 204.07 g/mol.
Where can I buy 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione?
You can request a quote for 1,3-Dihydro-1-(2-phenylethyl)-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 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-1-(2-phenylethyl)-2H-imidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.