TL;DR: 1-(2-Chlorophenyl)-3-(2,4-dichlorophenyl)thiourea (CAS 164861-59-0) is a chemical compound with molecular formula C13H9Cl3N2S and molecular weight 329.9552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)thiourea
Also Known As: 1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)thiourea, 1-(2,4-Dichlorophenyl)-3-(2-chlorophenyl)thiourea, N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)thiourea
| Molecular Formula | C13H9Cl3N2S |
| Molecular Weight | 329.9552 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.9552 Da |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
| SMILES | C1=CC=C(C(=C1)NC(=S)NC2=C(C=C(C=C2)Cl)Cl)Cl |
| InChIKey | BHHILCCNUUDWPO-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 1-(2-Chlorophenyl)-3-(2,4-dichlorophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 1-(2-Chlorophenyl)-3-(2,4-dichlorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chlorophenyl)-3-(2,4-dichlorophenyl)thiourea has 2 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 1-(2-Chlorophenyl)-3-(2,4-dichlorophenyl)thiourea is 164861-59-0.
The molecular formula of 1-(2-Chlorophenyl)-3-(2,4-dichlorophenyl)thiourea is C13H9Cl3N2S.
The molecular weight of 1-(2-Chlorophenyl)-3-(2,4-dichlorophenyl)thiourea is 329.9552 g/mol.
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