TL;DR: 1H-Indole, 2-phenyl-3-(1H-tetrazol-5-ylthio)- (CAS 66354-89-0) is a chemical compound with molecular formula C15H11N5S and molecular weight 293.07352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-3-(2H-tetrazol-5-ylsulfanyl)-1H-indole
Also Known As: LCS 22690, 2-Phenyl-3-(1H-tetrazol-5-ylthio)-1H-indole, Phenyl-2(tetrazolyl-5'thio)-3 indole, Phenyl-2(tetrazolyl-5'thio)-3 indole [French], 1H-INDOLE, 2-PHENYL-3-(1H-TETRAZOL-5-YLTHIO)-
| Molecular Formula | C15H11N5S |
| Molecular Weight | 293.07352 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 95.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.07352 Da |
| Heavy Atoms | 21 |
| Complexity | 349.0 |
| SMILES | C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SC4=NNN=N4 |
| InChIKey | ZSUFRGLXJNHSGH-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1H-Indole, 2-phenyl-3-(1H-tetrazol-5-ylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole, 2-phenyl-3-(1H-tetrazol-5-ylthio)-. Following Lipinski's Rule of Five, 1H-Indole, 2-phenyl-3-(1H-tetrazol-5-ylthio)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Indole, 2-phenyl-3-(1H-tetrazol-5-ylthio)- is 66354-89-0.
The molecular formula of 1H-Indole, 2-phenyl-3-(1H-tetrazol-5-ylthio)- is C15H11N5S.
The molecular weight of 1H-Indole, 2-phenyl-3-(1H-tetrazol-5-ylthio)- is 293.07352 g/mol.
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