1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl-
TL;DR: 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl- (CAS 55104-35-3) 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.
4-ethyl-3-methylpiperazine-1-carbodithioic acid
Also Known As: 4-ethyl-3-methylpiperazine-1-carbodithioic acid, 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl-, 4-Ethyl-3-methyl-1-piperazinecarbodithioic acid, 5-23-03-00272 (Beilstein Handbook Reference), 1-Piperazinecarbodithioicacid, 4-ethyl-3-methyl-
| Molecular Formula | C8H16N2S2 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07549 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 55104-35-3 |
|---|---|
| SMILES | CCN1CCN(CC1C)C(=S)S |
| InChIKey | ZBEMXTSKOYPDSD-UHFFFAOYSA-N |
Product Overview
1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl- (CAS 55104-35-3), with molecular formula C8H16N2S2 and molecular weight 204.08 g/mol. IUPAC: 4-ethyl-3-methylpiperazine-1-carbodithioic acid.
Chemical Property Profile of 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl-
Property Insights of 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl-. With a topological polar surface area (TPSA) of 39.6 Ų, 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl- 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-ethyl-3-methyl-?
The CAS number of 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl- is 55104-35-3.
What is the molecular formula of 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl-?
The molecular formula of 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl- is C8H16N2S2.
What is the molecular weight of 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl-?
The molecular weight of 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl- is 204.08 g/mol.
Where can I buy 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl-?
You can request a quote for 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl- 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-ethyl-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.