1-Piperazinecarbodithioic acid, 4-methyl-
TL;DR: 1-Piperazinecarbodithioic acid, 4-methyl- (CAS 5430-77-3) is a chemical compound with molecular formula C6H12N2S2 and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpiperazine-1-carbodithioic acid
Also Known As: 4-methylpiperazine-1-carbodithioic acid, 1-Piperazinecarbodithioic acid, 4-methyl-, 4-Methyl-1-piperazinecarbodithioic acid, N-methyl-N'-dithiocarboxylic acid, 4-methylpiperazine-1-carbodithioicacid
| Molecular Formula | C6H12N2S2 |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.04419 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 5430-77-3 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)S |
| InChIKey | ZRNARZDEJVFNSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Piperazinecarbodithioic acid, 4-methyl- (CAS 5430-77-3), with molecular formula C6H12N2S2 and molecular weight 176.04 g/mol. IUPAC: 4-methylpiperazine-1-carbodithioic acid.
Chemical Property Profile of 1-Piperazinecarbodithioic acid, 4-methyl-
Property Insights of 1-Piperazinecarbodithioic acid, 4-methyl-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarbodithioic acid, 4-methyl-. With a topological polar surface area (TPSA) of 39.6 Ų, 1-Piperazinecarbodithioic acid, 4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarbodithioic acid, 4-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-methyl-?
The CAS number of 1-Piperazinecarbodithioic acid, 4-methyl- is 5430-77-3.
What is the molecular formula of 1-Piperazinecarbodithioic acid, 4-methyl-?
The molecular formula of 1-Piperazinecarbodithioic acid, 4-methyl- is C6H12N2S2.
What is the molecular weight of 1-Piperazinecarbodithioic acid, 4-methyl-?
The molecular weight of 1-Piperazinecarbodithioic acid, 4-methyl- is 176.04 g/mol.
Where can I buy 1-Piperazinecarbodithioic acid, 4-methyl-?
You can request a quote for 1-Piperazinecarbodithioic acid, 4-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-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarbodithioic acid, 4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.