TL;DR: 1-phenyl-4-thien-2-yl-1H-imidazole-2-thiol (CAS 154548-79-5) is a chemical compound with molecular formula C13H10N2S2 and molecular weight 258.02853 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione
Also Known As: 1-phenyl-4-(thiophen-2-yl)-1h-imidazole-2-thiol, 1-phenyl-4-thien-2-yl-1H-imidazole-2-thiol, 3-phenyl-5-thiophen-2-yl-1H-imidazole-2-thione, 3-phenyl-5-(2-thienyl)-1H-imidazole-2-thione, 1-Phenyl-4-(thiophen-2-yl)-1,3-dihydro-2H-imidazole-2-thione
| Molecular Formula | C13H10N2S2 |
| Molecular Weight | 258.02853 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.02853 Da |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
| SMILES | C1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=CS3 |
| InChIKey | JWNJLMSOHQHFTF-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-4-thien-2-yl-1H-imidazole-2-thiol. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenyl-4-thien-2-yl-1H-imidazole-2-thiol. Following Lipinski's Rule of Five, 1-phenyl-4-thien-2-yl-1H-imidazole-2-thiol 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 1-phenyl-4-thien-2-yl-1H-imidazole-2-thiol is 154548-79-5.
The molecular formula of 1-phenyl-4-thien-2-yl-1H-imidazole-2-thiol is C13H10N2S2.
The molecular weight of 1-phenyl-4-thien-2-yl-1H-imidazole-2-thiol is 258.02853 g/mol.
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