Mercaptonicotin-amide
TL;DR: Mercaptonicotin-amide (CAS 89640-64-2) 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.
4-sulfanylidene-1H-pyridine-3-carboxamide
Also Known As: mercaptonicotin-amide, 3-Pyridinecarboxamide, 4-mercapto-, 4-sulfanylidene-1H-pyridine-3-carboxamide, 3-PYRIDINECARBOXAMIDE,4-MERCAPTO-, 4-Sulfanylidene-1,4-dihydropyridine-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 | 89640-64-2 |
|---|---|
| SMILES | C1=CNC=C(C1=S)C(=O)N |
Product Overview
Mercaptonicotin-amide (CAS 89640-64-2), with molecular formula C6H6N2OS and molecular weight 154.02 g/mol. IUPAC: 4-sulfanylidene-1H-pyridine-3-carboxamide.
Chemical Property Profile of Mercaptonicotin-amide
Property Insights of Mercaptonicotin-amide
The XLogP value of 0.84309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mercaptonicotin-amide. With a topological polar surface area (TPSA) of 58.88 Ų, Mercaptonicotin-amide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mercaptonicotin-amide 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 Mercaptonicotin-amide?
The CAS number of Mercaptonicotin-amide is 89640-64-2.
What is the molecular formula of Mercaptonicotin-amide?
The molecular formula of Mercaptonicotin-amide is C6H6N2OS.
What is the molecular weight of Mercaptonicotin-amide?
The molecular weight of Mercaptonicotin-amide is 154.02 g/mol.
Where can I buy Mercaptonicotin-amide?
You can request a quote for Mercaptonicotin-amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mercaptonicotin-amide?
Yes, KEHONG BIO provides custom synthesis services for Mercaptonicotin-amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.