2-Mercaptonicotinamide
TL;DR: 2-Mercaptonicotinamide (CAS 50596-67-3) is a chemical compound with molecular formula C6H6N2OS and molecular weight 154.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-1H-pyridine-3-carboxamide
Also Known As: 2-mercaptonicotinamide, mercaptonicotinamide, 2-sulfanylpyridine-3-carboxamide, 3-carbamoylpyridine-2-thione, 2-sulfanylidene-1H-pyridine-3-carboxamide
| Molecular Formula | C6H6N2OS |
|---|---|
| Molecular Weight | 154.02 g/mol |
| LogP | 0.84309 |
| Topological Polar Surface Area | 58.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.02008 |
| Heavy Atoms | 10 |
| Complexity | 304.61618 |
Chemical Identifiers
| CAS Number | 50596-67-3 |
|---|---|
| SMILES | C1=CNC(=S)C(=C1)C(=O)N |
Product Overview
2-Mercaptonicotinamide (CAS 50596-67-3), with molecular formula C6H6N2OS and molecular weight 154.02 g/mol. IUPAC: 2-sulfanylidene-1H-pyridine-3-carboxamide.
Chemical Property Profile of 2-Mercaptonicotinamide
Property Insights of 2-Mercaptonicotinamide
The XLogP value of 0.84309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercaptonicotinamide. With a topological polar surface area (TPSA) of 58.88 Ų, 2-Mercaptonicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercaptonicotinamide 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-Mercaptonicotinamide?
The CAS number of 2-Mercaptonicotinamide is 50596-67-3.
What is the molecular formula of 2-Mercaptonicotinamide?
The molecular formula of 2-Mercaptonicotinamide is C6H6N2OS.
What is the molecular weight of 2-Mercaptonicotinamide?
The molecular weight of 2-Mercaptonicotinamide is 154.02 g/mol.
Where can I buy 2-Mercaptonicotinamide?
You can request a quote for 2-Mercaptonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.