TL;DR: 1-[(4-Chlorophenyl)methyl]-3-(4-methoxyphenyl)thiourea (CAS 132912-85-7) is a chemical compound with molecular formula C15H15ClN2OS and molecular weight 306.05936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)thiourea
Also Known As: KSC-13-33, BIM-0001453.P001, N-(4-chlorobenzyl)-N'-(4-methoxyphenyl)thiourea, 1-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)thiourea, 1-(4-chlorobenzyl)-3-(4-methoxyphenyl)thiourea
| Molecular Formula | C15H15ClN2OS |
| Molecular Weight | 306.05936 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 65.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.05936 Da |
| Heavy Atoms | 20 |
| Complexity | 300.0 |
| SMILES | COC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)Cl |
| InChIKey | OBEUKQGHYHHUHF-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 1-[(4-Chlorophenyl)methyl]-3-(4-methoxyphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Chlorophenyl)methyl]-3-(4-methoxyphenyl)thiourea. Following Lipinski's Rule of Five, 1-[(4-Chlorophenyl)methyl]-3-(4-methoxyphenyl)thiourea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(4-Chlorophenyl)methyl]-3-(4-methoxyphenyl)thiourea is 132912-85-7.
The molecular formula of 1-[(4-Chlorophenyl)methyl]-3-(4-methoxyphenyl)thiourea is C15H15ClN2OS.
The molecular weight of 1-[(4-Chlorophenyl)methyl]-3-(4-methoxyphenyl)thiourea is 306.05936 g/mol.
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