TL;DR: 1-(4-Hydroxyphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea (CAS 1318765-35-3) is a chemical compound with molecular formula C15H12N4O2S and molecular weight 312.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-hydroxyphenyl)thiourea
Also Known As: 1-(4-hydroxyphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea, BIM-0039763.P001, 1H-indole-2,3-dione 3-[N-(4-hydroxyphenyl)thiosemicarbazone], 1-(4-hydroxyphenyl)-3-[(2-ketoindol-3-yl)amino]thiourea, 1-(4-hydroxyphenyl)-3-[(2-oxo-3-indolyl)amino]thiourea
| Molecular Formula | C15H12N4O2S |
| Molecular Weight | 312.06808 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.06808 Da |
| Heavy Atoms | 22 |
| Complexity | 426.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC=C(C=C3)O |
| InChIKey | ZDYVBANLKXRHDJ-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1-(4-Hydroxyphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Hydroxyphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea. Following Lipinski's Rule of Five, 1-(4-Hydroxyphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea has 4 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 1-(4-Hydroxyphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea is 1318765-35-3.
The molecular formula of 1-(4-Hydroxyphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea is C15H12N4O2S.
The molecular weight of 1-(4-Hydroxyphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea is 312.06808 g/mol.
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