1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl-
TL;DR: 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl- (CAS 29140-72-5) is a chemical compound with molecular formula C11H22N2S2 and molecular weight 246.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-pentylpiperazine-1-carbodithioic acid
Also Known As: 3-Methyl-4-pentyl-1-piperazinecarbodithioic acid, 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl-, 3-methyl-4-pentylpiperazine-1-carbodithioic acid, 5-23-03-00273 (Beilstein Handbook Reference), 1-Piperazinecarbodithioicacid, 3-methyl-4-pentyl-
| Molecular Formula | C11H22N2S2 |
|---|---|
| Molecular Weight | 246.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.12244 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 29140-72-5 |
|---|---|
| SMILES | CCCCCN1CCN(CC1C)C(=S)S |
| InChIKey | WATRRRTWHCMELE-UHFFFAOYSA-N |
Product Overview
1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl- (CAS 29140-72-5), with molecular formula C11H22N2S2 and molecular weight 246.12 g/mol. IUPAC: 3-methyl-4-pentylpiperazine-1-carbodithioic acid.
Chemical Property Profile of 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl-
Property Insights of 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl-. With a topological polar surface area (TPSA) of 39.6 Ų, 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl- 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, 3-methyl-4-pentyl-?
The CAS number of 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl- is 29140-72-5.
What is the molecular formula of 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl-?
The molecular formula of 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl- is C11H22N2S2.
What is the molecular weight of 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl-?
The molecular weight of 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl- is 246.12 g/mol.
Where can I buy 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl-?
You can request a quote for 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl- 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, 3-methyl-4-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.