Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate
TL;DR: Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate (CAS 126668-03-9) is a chemical compound with molecular formula C8H15N3O2S and molecular weight 217.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-(4-methylpiperazine-1-carbothioyl)carbamate
Also Known As: methyl (4-methyl-1-piperazinyl)carbothioylcarbamate, Methyl N-(4-methylpiperazine-1-carbothioyl)carbamate, AE-641/40198030, 663-722-0
Technical Specifications
| Molecular Formula | C8H15N3O2S |
| Molecular Weight | 217.0885 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.0885 Da |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| SMILES | CN1CCN(CC1)C(=S)NC(=O)OC |
| InChIKey | VPLYGTXBPICDGH-UHFFFAOYSA-N |
Chemical Property Profile of Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate
Property Insights of Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate. Following Lipinski's Rule of Five, Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate 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 Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate?
The CAS number of Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate is 126668-03-9.
What is the molecular formula of Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate?
The molecular formula of Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate is C8H15N3O2S.
What is the molecular weight of Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate?
The molecular weight of Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate is 217.0885 g/mol.
Where can I buy Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate?
You can request a quote for Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate?
Yes, CoreyChem provides custom synthesis services for Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.