N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide
TL;DR: N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 112940-44-0) is a chemical compound with molecular formula C12H16N4O2S and molecular weight 280.0994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide
Also Known As: N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide, N-methyl-4-(4-nitrophenyl)-1-piperazinecarbothioamide, 1-piperazinecarbothioamide,n-methyl-4-(4-nitrophenyl)-, (methylamino)[4-(4-nitrophenyl)piperazinyl]methane-1-thione
Technical Specifications
| Molecular Formula | C12H16N4O2S |
| Molecular Weight | 280.0994 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.0994 Da |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
| SMILES | CNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | HIEGXKMQARSWDW-UHFFFAOYSA-N |
Chemical Property Profile of N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide
Property Insights of N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-methyl-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-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The CAS number of N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide is 112940-44-0.
What is the molecular formula of N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular formula of N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide is C12H16N4O2S.
What is the molecular weight of N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular weight of N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide is 280.0994 g/mol.
Where can I buy N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide?
You can request a quote for N-methyl-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-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for N-methyl-4-(4-nitrophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.