4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide
TL;DR: 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide (CAS 1071516-78-3) is a chemical compound with molecular formula C19H21N3OS and molecular weight 339.14053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide
Also Known As: 4-benzoylpiperazine-1-carbothioic acid p-tolylamide, 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide
Technical Specifications
| Molecular Formula | C19H21N3OS |
| Molecular Weight | 339.14053 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.14053 Da |
| Heavy Atoms | 24 |
| Complexity | 434.0 |
| SMILES | CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CC=C3 |
| InChIKey | NAVKESJHFMBPBK-UHFFFAOYSA-N |
Chemical Property Profile of 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide
Property Insights of 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide
The XLogP value of 3.0 indicates that 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide has 1 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-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide?
The CAS number of 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide is 1071516-78-3.
What is the molecular formula of 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide?
The molecular formula of 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide is C19H21N3OS.
What is the molecular weight of 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide?
The molecular weight of 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide is 339.14053 g/mol.
Where can I buy 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide?
You can request a quote for 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 4-benzoyl-N-(4-methylphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.