![4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole structure](/static/products/119/119827-22-4.webp)
4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole
TL;DR: 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole (CAS 119827-22-4) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.08777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(benzylsulfanylmethyl)-5-methyl-1H-imidazole
Also Known As: 5-methyl-4(benzylmercaptomethyl)-imidazole, 4-(benzylsulfanylmethyl)-5-methyl-1H-imidazole, 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole, AE-641/00336048, AE-641/30177062
Technical Specifications
| Molecular Formula | C12H14N2S |
| Molecular Weight | 218.08777 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.08777 Da |
| Heavy Atoms | 15 |
| Complexity | 180.0 |
| SMILES | CC1=C(N=CN1)CSCC2=CC=CC=C2 |
| InChIKey | BHVJVSJBJQPCAQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole
Property Insights of 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole. With a topological polar surface area (TPSA) of 54.0 Ų, 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole?
The CAS number of 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole is 119827-22-4.
What is the molecular formula of 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole?
The molecular formula of 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole is C12H14N2S.
What is the molecular weight of 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole?
The molecular weight of 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole is 218.08777 g/mol.
Where can I buy 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole?
You can request a quote for 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole?
Yes, CoreyChem provides custom synthesis services for 4-[(benzylsulfanyl)methyl]-5-methyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.