4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole
TL;DR: 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole (CAS 130262-94-1) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-isothiocyanatophenyl)methyl]-4,5-dihydro-1H-imidazole
Also Known As: 2-(4'-Isothiocyanatobenzyl)imidazoline, 2-(4/'-Isothiocyanatobenzyl)imidazoline, 2-[(4-isothiocyanatophenyl)methyl]-4,5-dihydro-1H-imidazole, 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole, 4,5-Dihydro-2-(4-isothiocyanatobenzyl)-1H-imidazole
| Molecular Formula | C11H11N3S |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.06737 |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 130262-94-1 |
|---|---|
| SMILES | C1CN=C(N1)CC2=CC=C(C=C2)N=C=S |
| InChIKey | RUXDSTKVMLGBTO-UHFFFAOYSA-N |
Product Overview
4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole (CAS 130262-94-1), with molecular formula C11H11N3S and molecular weight 217.07 g/mol. IUPAC: 2-[(4-isothiocyanatophenyl)methyl]-4,5-dihydro-1H-imidazole.
Chemical Property Profile of 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole
Property Insights of 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole
The XLogP value of 4.1 indicates that 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole. Following Lipinski's Rule of Five, 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole has 1 hydrogen bond donor(s) and 3 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-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole?
The CAS number of 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole is 130262-94-1.
What is the molecular formula of 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole?
The molecular formula of 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole is C11H11N3S.
What is the molecular weight of 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole?
The molecular weight of 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole is 217.07 g/mol.
Where can I buy 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole?
You can request a quote for 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-2-((4-isothiocyanatophenyl)methyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.