N-(3-Chloro-4-methylphenyl)thiourea
TL;DR: N-(3-Chloro-4-methylphenyl)thiourea (CAS 117174-84-2) is a chemical compound with molecular formula C8H9ClN2S and molecular weight 200.0175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-chloro-4-methylphenyl)thiourea
Also Known As: 1-(3-chloro-4-methylphenyl)thiourea, 1-(3-Chloro-4-methylphenyl)-2-thiourea, (3-chloro-4-methylphenyl)thiourea, Thiourea, N-(3-chloro-4-methylphenyl)-, 3-chloro-4-methylphenylthiourea
Technical Specifications
| Molecular Formula | C8H9ClN2S |
| Molecular Weight | 200.0175 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.0175 Da |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=S)N)Cl |
| InChIKey | WOUSOFAZMILXJW-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-Chloro-4-methylphenyl)thiourea
Property Insights of N-(3-Chloro-4-methylphenyl)thiourea
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chloro-4-methylphenyl)thiourea. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Chloro-4-methylphenyl)thiourea. Following Lipinski's Rule of Five, N-(3-Chloro-4-methylphenyl)thiourea has 2 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 N-(3-Chloro-4-methylphenyl)thiourea?
The CAS number of N-(3-Chloro-4-methylphenyl)thiourea is 117174-84-2.
What is the molecular formula of N-(3-Chloro-4-methylphenyl)thiourea?
The molecular formula of N-(3-Chloro-4-methylphenyl)thiourea is C8H9ClN2S.
What is the molecular weight of N-(3-Chloro-4-methylphenyl)thiourea?
The molecular weight of N-(3-Chloro-4-methylphenyl)thiourea is 200.0175 g/mol.
Where can I buy N-(3-Chloro-4-methylphenyl)thiourea?
You can request a quote for N-(3-Chloro-4-methylphenyl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-Chloro-4-methylphenyl)thiourea?
Yes, CoreyChem provides custom synthesis services for N-(3-Chloro-4-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.