5-Dimethyldithiocarbamylpicolinic acid
TL;DR: 5-Dimethyldithiocarbamylpicolinic acid (CAS 53562-97-3) is a chemical compound with molecular formula C9H10N2O2S2 and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dimethylcarbamothioylsulfanyl)pyridine-2-carboxylic acid
Also Known As: 5-Dimethyldithiocarbamylpicolinic acid, 5-(dimethylcarbamothioylsulfanyl)pyridine-2-carboxylic acid, 5-[(dimethylcarbamothioyl)sulfanyl]pyridine-2-carboxylic acid, 5-(((Dimethylamino)thioxomethyl)thio)-2-pyridinecarboxylic acid, 5-[[(Dimethylamino)thioxomethyl]thio]-2-pyridinecarboxylic acid
| Molecular Formula | C9H10N2O2S2 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.01837 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 53562-97-3 |
|---|---|
| SMILES | CN(C)C(=S)SC1=CN=C(C=C1)C(=O)O |
| InChIKey | DPRCNNZNAGQWBE-UHFFFAOYSA-N |
Product Overview
5-Dimethyldithiocarbamylpicolinic acid (CAS 53562-97-3), with molecular formula C9H10N2O2S2 and molecular weight 242.02 g/mol. IUPAC: 5-(dimethylcarbamothioylsulfanyl)pyridine-2-carboxylic acid.
Chemical Property Profile of 5-Dimethyldithiocarbamylpicolinic acid
Property Insights of 5-Dimethyldithiocarbamylpicolinic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Dimethyldithiocarbamylpicolinic acid. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Dimethyldithiocarbamylpicolinic acid. Following Lipinski's Rule of Five, 5-Dimethyldithiocarbamylpicolinic acid has 1 hydrogen bond donor(s) and 5 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 5-Dimethyldithiocarbamylpicolinic acid?
The CAS number of 5-Dimethyldithiocarbamylpicolinic acid is 53562-97-3.
What is the molecular formula of 5-Dimethyldithiocarbamylpicolinic acid?
The molecular formula of 5-Dimethyldithiocarbamylpicolinic acid is C9H10N2O2S2.
What is the molecular weight of 5-Dimethyldithiocarbamylpicolinic acid?
The molecular weight of 5-Dimethyldithiocarbamylpicolinic acid is 242.02 g/mol.
Where can I buy 5-Dimethyldithiocarbamylpicolinic acid?
You can request a quote for 5-Dimethyldithiocarbamylpicolinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Dimethyldithiocarbamylpicolinic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Dimethyldithiocarbamylpicolinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.