4-Pyridyldithiocarbamic acid
TL;DR: 4-Pyridyldithiocarbamic acid (CAS 45810-08-0) is a chemical compound with molecular formula C6H6N2S2 and molecular weight 170.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-4-ylcarbamodithioic acid
Also Known As: 4-Pyridyldithiocarbamic acid, 4-pyridyldithiocarbamicacid, pyridin-4-ylcarbamodithioic acid, EINECS 256-246-6, 4-Pyridinylcarbamodithioic acid
| Molecular Formula | C6H6N2S2 |
|---|---|
| Molecular Weight | 170.00 g/mol |
| LogP | 1.7082 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.99724 |
| Heavy Atoms | 10 |
| Complexity | 222.44925 |
Chemical Identifiers
| CAS Number | 45810-08-0 |
|---|---|
| SMILES | C1=CN=CC=C1NC(=S)S |
Product Overview
4-Pyridyldithiocarbamic acid (CAS 45810-08-0), with molecular formula C6H6N2S2 and molecular weight 170.00 g/mol. IUPAC: pyridin-4-ylcarbamodithioic acid.
Chemical Property Profile of 4-Pyridyldithiocarbamic acid
Property Insights of 4-Pyridyldithiocarbamic acid
The XLogP value of 1.7082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridyldithiocarbamic acid. With a topological polar surface area (TPSA) of 24.92 Ų, 4-Pyridyldithiocarbamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridyldithiocarbamic acid has 2 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 4-Pyridyldithiocarbamic acid?
The CAS number of 4-Pyridyldithiocarbamic acid is 45810-08-0.
What is the molecular formula of 4-Pyridyldithiocarbamic acid?
The molecular formula of 4-Pyridyldithiocarbamic acid is C6H6N2S2.
What is the molecular weight of 4-Pyridyldithiocarbamic acid?
The molecular weight of 4-Pyridyldithiocarbamic acid is 170.00 g/mol.
Where can I buy 4-Pyridyldithiocarbamic acid?
You can request a quote for 4-Pyridyldithiocarbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridyldithiocarbamic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridyldithiocarbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.