TL;DR: (2-Phenyl-1H-indol-3-yl)thiourea (CAS 126193-42-8) is a chemical compound with molecular formula C15H13N3S and molecular weight 267.083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-phenyl-1H-indol-3-yl)thiourea
Also Known As: (2-Phenyl-1H-indol-3-yl)thiourea, Thiourea,N-(2-phenyl-1H-indol-3-yl)-, N-(2-Phenyl-1H-indol-3-yl)thiourea, 1-(2-Phenyl-1H-indol-3-yl)thiourea, Thiourea,N-(2-phenyl-1H-indol-3-yl)
| Molecular Formula | C15H13N3S |
| Molecular Weight | 267.083 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.083 Da |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
| SMILES | C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)NC(=S)N |
| InChIKey | RRLZYOFNVNUYNM-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Phenyl-1H-indol-3-yl)thiourea. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Phenyl-1H-indol-3-yl)thiourea. Following Lipinski's Rule of Five, (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 (2-Phenyl-1H-indol-3-yl)thiourea is 126193-42-8.
The molecular formula of (2-Phenyl-1H-indol-3-yl)thiourea is C15H13N3S.
The molecular weight of (2-Phenyl-1H-indol-3-yl)thiourea is 267.083 g/mol.
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