1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1)
TL;DR: 1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1) (CAS 5108-96-3) is a chemical compound with molecular formula C5H12N2S2 and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;pyrrolidine-1-carbodithioic acid
Also Known As: apdc, Ammonium pyrrolidine-1-carbodithioate, Ammonium pyrrolidyldithiocarbamate, Ammonium 1-pyrrolidinecarbodithioate, Pyrrolidinedithiocarbamate
| Molecular Formula | C5H12N2S2 |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 1.46 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.04419 |
| Heavy Atoms | 9 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 5108-96-3 |
|---|---|
| SMILES | C1CCN(C1)C(=S)S.N |
| InChIKey | MDDIUTVUBYEEEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1) (CAS 5108-96-3), with molecular formula C5H12N2S2 and molecular weight 164.04 g/mol. IUPAC: azane;pyrrolidine-1-carbodithioic acid.
Chemical Property Profile of 1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1)
Property Insights of 1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1)
The XLogP value of 1.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1). With a topological polar surface area (TPSA) of 37.3 Ų, 1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrrolidinecarbodithioic acid, ammonium salt (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-Pyrrolidinecarbodithioic acid, ammonium salt (1:1)?
The CAS number of 1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1) is 5108-96-3.
What is the molecular formula of 1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1)?
The molecular formula of 1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1) is C5H12N2S2.
What is the molecular weight of 1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1)?
The molecular weight of 1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1) is 164.04 g/mol.
Where can I buy 1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1)?
You can request a quote for 1-Pyrrolidinecarbodithioic acid, ammonium salt (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-Pyrrolidinecarbodithioic acid, ammonium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.