1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride
TL;DR: 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride (CAS 123824-02-2) is a chemical compound with molecular formula C13H19Cl2N3S and molecular weight 319.0677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]aniline;dihydrochloride
Also Known As: 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride, Benzanamine, N,N-dimethyl-2-(((1-methyl-1H-imidazol-2-yl)thio)methyl)-, dihydrochloride, N,N-Dimethyl-2-(((1-methyl-1H-imidazol-2-yl)thio)methyl)benzanamine dihydrochloride, N,N-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]aniline dihydrochloride, N,N-Dimethyl-2-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}aniline--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C13H19Cl2N3S |
| Molecular Weight | 319.0677 g/mol |
| XLogP | 3.622 |
| Topological Polar Surface Area (TPSA) | 46.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.0677 Da |
| Heavy Atoms | 19 |
| Complexity | 235.0 |
| SMILES | CN1C=CN=C1SCC2=CC=CC=C2N(C)C.Cl.Cl |
| InChIKey | QBWLJGGVBJRJIE-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride
Property Insights of 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride
The XLogP value of 3.622 indicates that 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.4 Ų, 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride?
The CAS number of 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride is 123824-02-2.
What is the molecular formula of 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride?
The molecular formula of 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride is C13H19Cl2N3S.
What is the molecular weight of 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride?
The molecular weight of 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride is 319.0677 g/mol.
Where can I buy 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride?
You can request a quote for 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-2-(2'-(N,N-dimethylanilyl)methylthio)imidazole dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.