3-(2-Chlorophenyl)-1,1-diethylthiourea
TL;DR: 3-(2-Chlorophenyl)-1,1-diethylthiourea (CAS 164861-65-8) is a chemical compound with molecular formula C11H15ClN2S and molecular weight 242.06445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chlorophenyl)-1,1-diethylthiourea
Also Known As: 3-(2-chlorophenyl)-1,1-diethylthiourea, 1,1-Diethyl-3-(2-chlorophenyl)thiourea, 1-(2-CHLOROPHENYL)-3,3-DIETHYLTHIOUREA, AB01328342-02
Technical Specifications
| Molecular Formula | C11H15ClN2S |
| Molecular Weight | 242.06445 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.06445 Da |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
| SMILES | CCN(CC)C(=S)NC1=CC=CC=C1Cl |
| InChIKey | XYQIJUQRCWMZEV-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Chlorophenyl)-1,1-diethylthiourea
Property Insights of 3-(2-Chlorophenyl)-1,1-diethylthiourea
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chlorophenyl)-1,1-diethylthiourea. With a topological polar surface area (TPSA) of 47.4 Ų, 3-(2-Chlorophenyl)-1,1-diethylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chlorophenyl)-1,1-diethylthiourea has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Chlorophenyl)-1,1-diethylthiourea?
The CAS number of 3-(2-Chlorophenyl)-1,1-diethylthiourea is 164861-65-8.
What is the molecular formula of 3-(2-Chlorophenyl)-1,1-diethylthiourea?
The molecular formula of 3-(2-Chlorophenyl)-1,1-diethylthiourea is C11H15ClN2S.
What is the molecular weight of 3-(2-Chlorophenyl)-1,1-diethylthiourea?
The molecular weight of 3-(2-Chlorophenyl)-1,1-diethylthiourea is 242.06445 g/mol.
Where can I buy 3-(2-Chlorophenyl)-1,1-diethylthiourea?
You can request a quote for 3-(2-Chlorophenyl)-1,1-diethylthiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Chlorophenyl)-1,1-diethylthiourea?
Yes, CoreyChem provides custom synthesis services for 3-(2-Chlorophenyl)-1,1-diethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.