4-Benzylpiperazine-1-carbodithioic acid
TL;DR: 4-Benzylpiperazine-1-carbodithioic acid (CAS 46734-46-7) is a chemical compound with molecular formula C12H16N2S2 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylpiperazine-1-carbodithioic acid
Also Known As: 4-benzylpiperazine-1-carbodithioic Acid, 4-benzyl-piperazine-1-carbodithioic acid, 4-Benzylpiperazine-1-dithiocarboxylic acid, J2.560.853D
| Molecular Formula | C12H16N2S2 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07549 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 46734-46-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)S |
| InChIKey | XBIUUXRZZVMQPK-UHFFFAOYSA-N |
Product Overview
4-Benzylpiperazine-1-carbodithioic acid (CAS 46734-46-7), with molecular formula C12H16N2S2 and molecular weight 252.08 g/mol. IUPAC: 4-benzylpiperazine-1-carbodithioic acid.
Chemical Property Profile of 4-Benzylpiperazine-1-carbodithioic acid
Property Insights of 4-Benzylpiperazine-1-carbodithioic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylpiperazine-1-carbodithioic acid. With a topological polar surface area (TPSA) of 39.6 Ų, 4-Benzylpiperazine-1-carbodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylpiperazine-1-carbodithioic 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 4-Benzylpiperazine-1-carbodithioic acid?
The CAS number of 4-Benzylpiperazine-1-carbodithioic acid is 46734-46-7.
What is the molecular formula of 4-Benzylpiperazine-1-carbodithioic acid?
The molecular formula of 4-Benzylpiperazine-1-carbodithioic acid is C12H16N2S2.
What is the molecular weight of 4-Benzylpiperazine-1-carbodithioic acid?
The molecular weight of 4-Benzylpiperazine-1-carbodithioic acid is 252.08 g/mol.
Where can I buy 4-Benzylpiperazine-1-carbodithioic acid?
You can request a quote for 4-Benzylpiperazine-1-carbodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylpiperazine-1-carbodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylpiperazine-1-carbodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.