![4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol structure](/static/products/135/13528-20-6.webp)
4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol
TL;DR: 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol (CAS 13528-20-6) is a chemical compound with molecular formula C13H11ClN2OS and molecular weight 278.02808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-chloro-2-hydroxyphenyl)-3-phenylthiourea
Also Known As: 1-(5-chloro-2-hydroxyphenyl)-3-phenylthiourea, N-(2-hydroxy-5-chlorophenyl)-N'-phenylthiourea, 1-(5-chloro-2-hydroxy-phenyl)-3-phenyl-thiourea, 4-chloro-2-{[(phenylamino)thioxomethyl]amino}phenol
Technical Specifications
| Molecular Formula | C13H11ClN2OS |
| Molecular Weight | 278.02808 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 76.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.02808 Da |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
| SMILES | C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)Cl)O |
| InChIKey | WSMAKVHYDXBIBN-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol
Property Insights of 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol
The XLogP value of 4.3 indicates that 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol. Following Lipinski's Rule of Five, 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol?
The CAS number of 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol is 13528-20-6.
What is the molecular formula of 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol?
The molecular formula of 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol is C13H11ClN2OS.
What is the molecular weight of 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol?
The molecular weight of 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol is 278.02808 g/mol.
Where can I buy 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol?
You can request a quote for 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-{[(phenylamino)thioxomethyl]amino}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.