N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
TL;DR: N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 431892-56-7) is a chemical compound with molecular formula C18H20N4O2S and molecular weight 356.1307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Also Known As: N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Technical Specifications
| Molecular Formula | C18H20N4O2S |
| Molecular Weight | 356.1307 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.1307 Da |
| Heavy Atoms | 25 |
| Complexity | 460.0 |
| SMILES | CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | VYMAIRQWRQGRJW-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Property Insights of N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
The XLogP value of 3.5 indicates that N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The CAS number of N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is 431892-56-7.
What is the molecular formula of N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular formula of N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is C18H20N4O2S.
What is the molecular weight of N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular weight of N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is 356.1307 g/mol.
Where can I buy N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
You can request a quote for N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for N-(4-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.