Ethyl 4-methylpiperazine-1-carbodithioate
TL;DR: Ethyl 4-methylpiperazine-1-carbodithioate (CAS 90222-38-1) is a chemical compound with molecular formula C8H16N2S2 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methylpiperazine-1-carbodithioate
Also Known As: ethyl 4-methylpiperazine-1-carbodithioate, Ethylsulfanyl-(4-methylpiperazin-1-yl)methanethione, 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester
| Molecular Formula | C8H16N2S2 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07549 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 90222-38-1 |
|---|---|
| SMILES | CCSC(=S)N1CCN(CC1)C |
| InChIKey | LZKFCLFMZGRVTL-UHFFFAOYSA-N |
Product Overview
Ethyl 4-methylpiperazine-1-carbodithioate (CAS 90222-38-1), with molecular formula C8H16N2S2 and molecular weight 204.08 g/mol. IUPAC: ethyl 4-methylpiperazine-1-carbodithioate.
Chemical Property Profile of Ethyl 4-methylpiperazine-1-carbodithioate
Property Insights of Ethyl 4-methylpiperazine-1-carbodithioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methylpiperazine-1-carbodithioate. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-methylpiperazine-1-carbodithioate. Following Lipinski's Rule of Five, Ethyl 4-methylpiperazine-1-carbodithioate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-methylpiperazine-1-carbodithioate?
The CAS number of Ethyl 4-methylpiperazine-1-carbodithioate is 90222-38-1.
What is the molecular formula of Ethyl 4-methylpiperazine-1-carbodithioate?
The molecular formula of Ethyl 4-methylpiperazine-1-carbodithioate is C8H16N2S2.
What is the molecular weight of Ethyl 4-methylpiperazine-1-carbodithioate?
The molecular weight of Ethyl 4-methylpiperazine-1-carbodithioate is 204.08 g/mol.
Where can I buy Ethyl 4-methylpiperazine-1-carbodithioate?
You can request a quote for Ethyl 4-methylpiperazine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methylpiperazine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methylpiperazine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.