1-Piperidinecarbodithioic acid, compd. with piperidine (1:1)
TL;DR: 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1) (CAS 98-77-1) 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.
piperidine;piperidine-1-carbodithioic acid
Also Known As: Accelerator 552, PMP (accelerator), Pip-Pip, Piperidine piperidine-1-carbodithioate, Piperidinium pentamethylenedithiocarbamate
| Molecular Formula | C11H22N2S2 |
|---|---|
| Molecular Weight | 246.12 g/mol |
| LogP | 2.45 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.12244 |
| Heavy Atoms | 15 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 98-77-1 |
|---|---|
| SMILES | C1CCNCC1.C1CCN(CC1)C(=S)S |
| InChIKey | PVFZKRMYBKEXBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Piperidinecarbodithioic acid, compd. with piperidine (1:1) (CAS 98-77-1), with molecular formula C11H22N2S2 and molecular weight 246.12 g/mol. IUPAC: piperidine;piperidine-1-carbodithioic acid.
Chemical Property Profile of 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1)
Property Insights of 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1)
The XLogP value of 2.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1). With a topological polar surface area (TPSA) of 48.4 Ų, 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1) 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-Piperidinecarbodithioic acid, compd. with piperidine (1:1)?
The CAS number of 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1) is 98-77-1.
What is the molecular formula of 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1)?
The molecular formula of 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1) is C11H22N2S2.
What is the molecular weight of 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1)?
The molecular weight of 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1) is 246.12 g/mol.
Where can I buy 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1)?
You can request a quote for 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1) 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, compd. with piperidine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.