1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride
TL;DR: 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride (CAS 29140-76-9) is a chemical compound with molecular formula C8H17ClN2S2 and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methylpiperazine-1-carbodithioate;hydrochloride
Also Known As: 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride, 4-Methyl-1-piperazinecarbodithioic acid ethyl ester hydrochloride, ethyl 4-methylpiperazine-1-carbodithioate hydrochloride, ethyl 4-methylpiperazine-1-carbodithioate,hydrochloride, Ethyl 4-methylpiperazine-1-carbodithioate--hydrogen chloride (1/1)
| Molecular Formula | C8H17ClN2S2 |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 1.6936 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.05217 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 29140-76-9 |
|---|---|
| SMILES | CCSC(=S)N1CCN(CC1)C.Cl |
| InChIKey | JVRJNTPMOYTQOR-UHFFFAOYSA-N |
Product Overview
1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride (CAS 29140-76-9), with molecular formula C8H17ClN2S2 and molecular weight 240.05 g/mol. IUPAC: ethyl 4-methylpiperazine-1-carbodithioate;hydrochloride.
Chemical Property Profile of 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride
Property Insights of 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride
The XLogP value of 1.6936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride has 1 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 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride?
The CAS number of 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride is 29140-76-9.
What is the molecular formula of 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride?
The molecular formula of 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride is C8H17ClN2S2.
What is the molecular weight of 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride?
The molecular weight of 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride is 240.05 g/mol.
Where can I buy 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride?
You can request a quote for 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarbodithioic acid, 4-methyl-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.