5-phenylsulfanyl-1H-imidazole
TL;DR: 5-phenylsulfanyl-1H-imidazole (CAS 123914-23-8) is a chemical compound with molecular formula C9H8N2S and molecular weight 176.04082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-phenylsulfanyl-1H-imidazole
Also Known As: 4-phenylsulfanyl-1h-imidazole, 5-phenylsulfanyl-1H-imidazole, 1H-Imidazole, 5-(phenylthio)-, 4-phenylsulfanyl-3H-imidazole
Technical Specifications
| Molecular Formula | C9H8N2S |
| Molecular Weight | 176.04082 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.04082 Da |
| Heavy Atoms | 12 |
| Complexity | 134.0 |
| SMILES | C1=CC=C(C=C1)SC2=CN=CN2 |
| InChIKey | GURZJXWRPWAUKA-UHFFFAOYSA-N |
Chemical Property Profile of 5-phenylsulfanyl-1H-imidazole
Property Insights of 5-phenylsulfanyl-1H-imidazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-phenylsulfanyl-1H-imidazole. With a topological polar surface area (TPSA) of 54.0 Ų, 5-phenylsulfanyl-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-phenylsulfanyl-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 5-phenylsulfanyl-1H-imidazole?
The CAS number of 5-phenylsulfanyl-1H-imidazole is 123914-23-8.
What is the molecular formula of 5-phenylsulfanyl-1H-imidazole?
The molecular formula of 5-phenylsulfanyl-1H-imidazole is C9H8N2S.
What is the molecular weight of 5-phenylsulfanyl-1H-imidazole?
The molecular weight of 5-phenylsulfanyl-1H-imidazole is 176.04082 g/mol.
Where can I buy 5-phenylsulfanyl-1H-imidazole?
You can request a quote for 5-phenylsulfanyl-1H-imidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-phenylsulfanyl-1H-imidazole?
Yes, CoreyChem provides custom synthesis services for 5-phenylsulfanyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.