TL;DR: 1,3-Bis(2-methoxyphenyl)thiourea (CAS 123218-79-1) is a chemical compound with molecular formula C15H16N2O2S and molecular weight 288.09326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(2-methoxyphenyl)thiourea
Also Known As: 1,3-bis(2-methoxyphenyl)thiourea, BCPLT, 1,3-Di-o-anisylthiourea, di(o-methoxyphenyl)thiourea, KST-1B0090
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H16N2O2S |
| Molecular Weight | 288.09326 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.09326 Da |
| Heavy Atoms | 20 |
| Complexity | 286.0 |
| SMILES | COC1=CC=CC=C1NC(=S)NC2=CC=CC=C2OC |
| InChIKey | SLCJUVBRGGUTNS-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 1,3-Bis(2-methoxyphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(2-methoxyphenyl)thiourea. Following Lipinski's Rule of Five, 1,3-Bis(2-methoxyphenyl)thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Bis(2-methoxyphenyl)thiourea is 123218-79-1.
The molecular formula of 1,3-Bis(2-methoxyphenyl)thiourea is C15H16N2O2S.
The molecular weight of 1,3-Bis(2-methoxyphenyl)thiourea is 288.09326 g/mol.
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