Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate
TL;DR: Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate (CAS 126651-70-5) is a chemical compound with molecular formula C9H17N3O2S and molecular weight 231.10414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-(4-methylpiperazine-1-carbothioyl)carbamate
Also Known As: ETHYL (4-METHYL-1-PIPERAZINYL)CARBOTHIOYLCARBAMATE, Ethyl N-(4-methylpiperazine-1-carbothioyl)carbamate, Ethyl (4-methylpiperazine-1-carbothioyl)carbamate, Ethyl (4-methylpiperazine-1-carbonothioyl)carbamate, 4H-(1,2,4)Triazino(3,4-a)phthalazine,7-ethoxy-3-phenyl
Technical Specifications
| Molecular Formula | C9H17N3O2S |
| Molecular Weight | 231.10414 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.10414 Da |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
| SMILES | CCOC(=O)NC(=S)N1CCN(CC1)C |
| InChIKey | BYRDGJCUGSMICY-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate
Property Insights of Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate. Following Lipinski's Rule of Five, Ethyl (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 Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate?
The CAS number of Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate is 126651-70-5.
What is the molecular formula of Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate?
The molecular formula of Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate is C9H17N3O2S.
What is the molecular weight of Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate?
The molecular weight of Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate is 231.10414 g/mol.
Where can I buy Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate?
You can request a quote for Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate?
Yes, CoreyChem provides custom synthesis services for Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.