4-formyl-N-methylpiperazine-1-carbothioamide
TL;DR: 4-formyl-N-methylpiperazine-1-carbothioamide (CAS 113049-34-6) is a chemical compound with molecular formula C7H13N3OS and molecular weight 187.07793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-formyl-N-methylpiperazine-1-carbothioamide
Also Known As: 4-formyl-N-methylpiperazine-1-carbothioamide, 1-Piperazinecarbothioamide,4-formyl-N-methyl-, 4-formyl-N-methyl-piperazine-1-carbothioamide, 4-[(methylamino)thioxomethyl]piperazinecarbaldehyde, 1-Piperazinecarbothioamide,4-formyl-N-methyl-(9CI)
Technical Specifications
| Molecular Formula | C7H13N3OS |
| Molecular Weight | 187.07793 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.07793 Da |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
| SMILES | CNC(=S)N1CCN(CC1)C=O |
| InChIKey | DMHDHAVZJJCKSB-UHFFFAOYSA-N |
Chemical Property Profile of 4-formyl-N-methylpiperazine-1-carbothioamide
Property Insights of 4-formyl-N-methylpiperazine-1-carbothioamide
The XLogP value of -0.6 indicates that 4-formyl-N-methylpiperazine-1-carbothioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-formyl-N-methylpiperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-formyl-N-methylpiperazine-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-formyl-N-methylpiperazine-1-carbothioamide?
The CAS number of 4-formyl-N-methylpiperazine-1-carbothioamide is 113049-34-6.
What is the molecular formula of 4-formyl-N-methylpiperazine-1-carbothioamide?
The molecular formula of 4-formyl-N-methylpiperazine-1-carbothioamide is C7H13N3OS.
What is the molecular weight of 4-formyl-N-methylpiperazine-1-carbothioamide?
The molecular weight of 4-formyl-N-methylpiperazine-1-carbothioamide is 187.07793 g/mol.
Where can I buy 4-formyl-N-methylpiperazine-1-carbothioamide?
You can request a quote for 4-formyl-N-methylpiperazine-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-formyl-N-methylpiperazine-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 4-formyl-N-methylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.