4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide
TL;DR: 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 78721-53-6) 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.
4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide
Also Known As: 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide, 4-methyl-N-(4-nitrophenyl)-1-piperazinecarbothioamide, 4-methyl-N-(4-nitrophenyl)piperazine-1-carboximidothioic acid, N-{4-nitrophenyl}-4-methyl-1-piperazinecarbothioamide, 4-METHYL-N~1~-(4-NITROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
Technical Specifications
| Molecular Formula | C12H16N4O2S |
| Molecular Weight | 280.0994 g/mol |
| XLogP | 1.4 |
| 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 | CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | SXQZCXHNYYVDNL-UHFFFAOYSA-N |
Chemical Property Profile of 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide
Property Insights of 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-methyl-N-(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 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide?
The CAS number of 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide is 78721-53-6.
What is the molecular formula of 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular formula of 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide is C12H16N4O2S.
What is the molecular weight of 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular weight of 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide is 280.0994 g/mol.
Where can I buy 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide?
You can request a quote for 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.