TL;DR: (5-Chloro-2-phenyl-1H-indol-3-yl)thiourea (CAS 126193-43-9) is a chemical compound with molecular formula C15H12ClN3S and molecular weight 301.04404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-chloro-2-phenyl-1H-indol-3-yl)thiourea
Also Known As: (5-Chloro-2-phenyl-1H-indol-3-yl)thiourea, Thiourea,N-(2-phenyl-1H-indol-3-yl), 1-(5-Chloro-2-phenyl-1H-indol-3-yl)thiourea, 1-(2-Phenyl-5-chloro-1H-indol-3-yl)thiourea, N-(5-Chloro-2-phenyl-1H-indol-3-yl)thiourea
| Molecular Formula | C15H12ClN3S |
| Molecular Weight | 301.04404 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.04404 Da |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
| SMILES | C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)Cl)NC(=S)N |
| InChIKey | CRQUXYPEYQNQCK-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that (5-Chloro-2-phenyl-1H-indol-3-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Chloro-2-phenyl-1H-indol-3-yl)thiourea. Following Lipinski's Rule of Five, (5-Chloro-2-phenyl-1H-indol-3-yl)thiourea has 3 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5-Chloro-2-phenyl-1H-indol-3-yl)thiourea is 126193-43-9.
The molecular formula of (5-Chloro-2-phenyl-1H-indol-3-yl)thiourea is C15H12ClN3S.
The molecular weight of (5-Chloro-2-phenyl-1H-indol-3-yl)thiourea is 301.04404 g/mol.
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