1-(4-Acetylphenyl)-3-allylthiourea
TL;DR: 1-(4-Acetylphenyl)-3-allylthiourea (CAS 14187-43-0) is a chemical compound with molecular formula C12H14N2OS and molecular weight 234.08269 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-acetylphenyl)-3-prop-2-enylthiourea
Also Known As: Thiourea analog, 1-(4-Acetylphenyl)-3-allylthiourea, N-(4-acetyl-phenyl)-N'-allyl-thiourea, 1-(4-acetylphenyl)-3-allyl-thiourea, 1-(p-Acetylphenyl)-3-allyl-2-thiourea
Technical Specifications
| Molecular Formula | C12H14N2OS |
| Molecular Weight | 234.08269 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.08269 Da |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=S)NCC=C |
| InChIKey | OGHNQNICLCLWJU-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Acetylphenyl)-3-allylthiourea
Property Insights of 1-(4-Acetylphenyl)-3-allylthiourea
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Acetylphenyl)-3-allylthiourea. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Acetylphenyl)-3-allylthiourea. Following Lipinski's Rule of Five, 1-(4-Acetylphenyl)-3-allylthiourea has 2 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 1-(4-Acetylphenyl)-3-allylthiourea?
The CAS number of 1-(4-Acetylphenyl)-3-allylthiourea is 14187-43-0.
What is the molecular formula of 1-(4-Acetylphenyl)-3-allylthiourea?
The molecular formula of 1-(4-Acetylphenyl)-3-allylthiourea is C12H14N2OS.
What is the molecular weight of 1-(4-Acetylphenyl)-3-allylthiourea?
The molecular weight of 1-(4-Acetylphenyl)-3-allylthiourea is 234.08269 g/mol.
Where can I buy 1-(4-Acetylphenyl)-3-allylthiourea?
You can request a quote for 1-(4-Acetylphenyl)-3-allylthiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Acetylphenyl)-3-allylthiourea?
Yes, CoreyChem provides custom synthesis services for 1-(4-Acetylphenyl)-3-allylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.