TL;DR: 2-(Hexylthio)-5-methyl-1h-benzo[d]imidazole (CAS 143966-21-6) is a chemical compound with molecular formula C14H20N2S and molecular weight 248.13472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexylsulfanyl-6-methyl-1H-benzimidazole
Also Known As: 2-(Hexylthio)-5-methyl-1H-benzoimidazole, 2-hexylsulfanyl-6-methyl-1H-benzimidazole, 2-(hexylthio)-5-methyl-1h-benzo[d]imidazole, 2-(hexylthio)-6-methyl-1H-benzo[d]imidazole, J3.466.532J
| Molecular Formula | C14H20N2S |
| Molecular Weight | 248.13472 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.13472 Da |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
| SMILES | CCCCCCSC1=NC2=C(N1)C=C(C=C2)C |
| InChIKey | CVNUCLSQFQMMQE-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 2-(Hexylthio)-5-methyl-1h-benzo[d]imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2-(Hexylthio)-5-methyl-1h-benzo[d]imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hexylthio)-5-methyl-1h-benzo[d]imidazole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Hexylthio)-5-methyl-1h-benzo[d]imidazole is 143966-21-6.
The molecular formula of 2-(Hexylthio)-5-methyl-1h-benzo[d]imidazole is C14H20N2S.
The molecular weight of 2-(Hexylthio)-5-methyl-1h-benzo[d]imidazole is 248.13472 g/mol.
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