![2-(allylthio)-5-methyl-1H-benzo[d]imidazole structure](/static/products/1057/105770-74-9.webp)
2-(allylthio)-5-methyl-1H-benzo[d]imidazole
TL;DR: 2-(allylthio)-5-methyl-1H-benzo[d]imidazole (CAS 105770-74-9) is a chemical compound with molecular formula C11H12N2S and molecular weight 204.07211 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-2-prop-2-enylsulfanyl-1H-benzimidazole
Also Known As: starbld0033704, 2-(allylthio)-5-methyl-1H-benzo[d]imidazole, 2-vinyl-4,5-dihydro-1h-imidazole, BAS 12411734, 5-methyl-2-prop-2-enylthiobenzimidazole
Technical Specifications
| Molecular Formula | C11H12N2S |
| Molecular Weight | 204.07211 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07211 Da |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
| SMILES | CC1=CC2=C(C=C1)N=C(N2)SCC=C |
| InChIKey | MAVROOKMSMTGKO-UHFFFAOYSA-N |
Chemical Property Profile of 2-(allylthio)-5-methyl-1H-benzo[d]imidazole
Property Insights of 2-(allylthio)-5-methyl-1H-benzo[d]imidazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(allylthio)-5-methyl-1H-benzo[d]imidazole. With a topological polar surface area (TPSA) of 54.0 Ų, 2-(allylthio)-5-methyl-1H-benzo[d]imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(allylthio)-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.
Frequently Asked Questions
What is the CAS number of 2-(allylthio)-5-methyl-1H-benzo[d]imidazole?
The CAS number of 2-(allylthio)-5-methyl-1H-benzo[d]imidazole is 105770-74-9.
What is the molecular formula of 2-(allylthio)-5-methyl-1H-benzo[d]imidazole?
The molecular formula of 2-(allylthio)-5-methyl-1H-benzo[d]imidazole is C11H12N2S.
What is the molecular weight of 2-(allylthio)-5-methyl-1H-benzo[d]imidazole?
The molecular weight of 2-(allylthio)-5-methyl-1H-benzo[d]imidazole is 204.07211 g/mol.
Where can I buy 2-(allylthio)-5-methyl-1H-benzo[d]imidazole?
You can request a quote for 2-(allylthio)-5-methyl-1H-benzo[d]imidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(allylthio)-5-methyl-1H-benzo[d]imidazole?
Yes, CoreyChem provides custom synthesis services for 2-(allylthio)-5-methyl-1H-benzo[d]imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.