1-Piperazinecarbodithioic acid
TL;DR: 1-Piperazinecarbodithioic acid (CAS 99-00-3) is a chemical compound with molecular formula C5H10N2S2 and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
piperazine-1-carbodithioic acid
Also Known As: Picadex, Safersan, Parvex, 1-Piperazinecarbodithioic acid, Piperazine-1-carbodithioic acid
| Molecular Formula | C5H10N2S2 |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.02853 |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
| Melting Point | 225 - 227 °C |
Chemical Identifiers
| CAS Number | 99-00-3 |
|---|---|
| SMILES | C1CN(CCN1)C(=S)S |
| InChIKey | IDIICHZCEIGXGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Piperazinecarbodithioic acid (CAS 99-00-3), with molecular formula C5H10N2S2 and molecular weight 162.03 g/mol. IUPAC: piperazine-1-carbodithioic acid.
Chemical Property Profile of 1-Piperazinecarbodithioic acid
Property Insights of 1-Piperazinecarbodithioic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarbodithioic acid. With a topological polar surface area (TPSA) of 48.4 Ų, 1-Piperazinecarbodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarbodithioic acid has 2 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?
The CAS number of 1-Piperazinecarbodithioic acid is 99-00-3.
What is the molecular formula of 1-Piperazinecarbodithioic acid?
The molecular formula of 1-Piperazinecarbodithioic acid is C5H10N2S2.
What is the molecular weight of 1-Piperazinecarbodithioic acid?
The molecular weight of 1-Piperazinecarbodithioic acid is 162.03 g/mol.
Where can I buy 1-Piperazinecarbodithioic acid?
You can request a quote for 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 1-Piperazinecarbodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarbodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.