2-Mercapto-4,6-dimethylnicotinamide
TL;DR: 2-Mercapto-4,6-dimethylnicotinamide (CAS 79927-21-2) is a chemical compound with molecular formula C8H10N2OS and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
Also Known As: 2-mercapto-4,6-dimethylnicotinamide, 1,2-Dihydro-4,6-dimethyl-2-thioxo-3-pyridinecarboxamide, 4,6-dimethyl-2-sulfanylpyridine-3-carboxamide, 4,6-dimethyl-2-mercaptonicotinamide, SDCCGMLS-0065488.P001
| Molecular Formula | C8H10N2OS |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.05139 |
| Heavy Atoms | 12 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 79927-21-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=S)N1)C(=O)N)C |
| InChIKey | PNUHWHVTEYTPSN-UHFFFAOYSA-N |
Product Overview
2-Mercapto-4,6-dimethylnicotinamide (CAS 79927-21-2), with molecular formula C8H10N2OS and molecular weight 182.05 g/mol. IUPAC: 4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
Chemical Property Profile of 2-Mercapto-4,6-dimethylnicotinamide
Property Insights of 2-Mercapto-4,6-dimethylnicotinamide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-4,6-dimethylnicotinamide. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-4,6-dimethylnicotinamide. Following Lipinski's Rule of Five, 2-Mercapto-4,6-dimethylnicotinamide 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 2-Mercapto-4,6-dimethylnicotinamide?
The CAS number of 2-Mercapto-4,6-dimethylnicotinamide is 79927-21-2.
What is the molecular formula of 2-Mercapto-4,6-dimethylnicotinamide?
The molecular formula of 2-Mercapto-4,6-dimethylnicotinamide is C8H10N2OS.
What is the molecular weight of 2-Mercapto-4,6-dimethylnicotinamide?
The molecular weight of 2-Mercapto-4,6-dimethylnicotinamide is 182.05 g/mol.
Where can I buy 2-Mercapto-4,6-dimethylnicotinamide?
You can request a quote for 2-Mercapto-4,6-dimethylnicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-4,6-dimethylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-4,6-dimethylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.