2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid
TL;DR: 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid (CAS 55100-03-3) is a chemical compound with molecular formula C9H18N2S2 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-propan-2-ylpiperazine-1-carbodithioic acid
Also Known As: 4-Isopropyl-2-methyl-1-piperazinecarbodithioic acid, 1-Piperazinecarbodithioic acid, 4-isopropyl-2-methyl-, 5-23-03-00272 (Beilstein Handbook Reference), 2-methyl-4-(propan-2-yl)piperazine-1-carbodithioic acid, 2-methyl-4-propan-2-ylpiperazine-1-carbodithioic acid
| Molecular Formula | C9H18N2S2 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.09114 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 55100-03-3 |
|---|---|
| SMILES | CC1CN(CCN1C(=S)S)C(C)C |
| InChIKey | KRIAJTKEWDHGEE-UHFFFAOYSA-N |
Product Overview
2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid (CAS 55100-03-3), with molecular formula C9H18N2S2 and molecular weight 218.09 g/mol. IUPAC: 2-methyl-4-propan-2-ylpiperazine-1-carbodithioic acid.
Chemical Property Profile of 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid
Property Insights of 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid. With a topological polar surface area (TPSA) of 39.6 Ų, 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid 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 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid?
The CAS number of 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid is 55100-03-3.
What is the molecular formula of 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid?
The molecular formula of 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid is C9H18N2S2.
What is the molecular weight of 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid?
The molecular weight of 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid is 218.09 g/mol.
Where can I buy 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid?
You can request a quote for 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-(1-methylethyl)-1-piperazinecarbodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.