1-Piperidinecarbodithioic acid
TL;DR: 1-Piperidinecarbodithioic acid (CAS 873-57-4) is a chemical compound with molecular formula C6H11NS2 and molecular weight 161.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
piperidine-1-carbodithioic acid
Also Known As: 1-Piperidinecarbodithioic acid, piperidine-1-carbodithioic acid, Piperidinecarbodithioic acid, piperidinedithiocarbamic acid, NCIOpen2_000055
| Molecular Formula | C6H11NS2 |
|---|---|
| Molecular Weight | 161.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.0333 |
| Heavy Atoms | 9 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 873-57-4 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)S |
| InChIKey | FAIPQCJQEAURIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Piperidinecarbodithioic acid (CAS 873-57-4), with molecular formula C6H11NS2 and molecular weight 161.03 g/mol. IUPAC: piperidine-1-carbodithioic acid.
Chemical Property Profile of 1-Piperidinecarbodithioic acid
Property Insights of 1-Piperidinecarbodithioic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperidinecarbodithioic acid. With a topological polar surface area (TPSA) of 36.3 Ų, 1-Piperidinecarbodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidinecarbodithioic acid has 1 hydrogen bond donor(s) and 2 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-Piperidinecarbodithioic acid?
The CAS number of 1-Piperidinecarbodithioic acid is 873-57-4.
What is the molecular formula of 1-Piperidinecarbodithioic acid?
The molecular formula of 1-Piperidinecarbodithioic acid is C6H11NS2.
What is the molecular weight of 1-Piperidinecarbodithioic acid?
The molecular weight of 1-Piperidinecarbodithioic acid is 161.03 g/mol.
Where can I buy 1-Piperidinecarbodithioic acid?
You can request a quote for 1-Piperidinecarbodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidinecarbodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinecarbodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.