Thionicotinamide
TL;DR: Thionicotinamide (CAS 4621-66-3) is a chemical compound with molecular formula C6H6N2S and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridine-3-carbothioamide
Also Known As: Thionicotinamide, pyridine-3-carbothioamide, 3-Pyridinecarbothioamide, Nicotinothioamide, 3-Thioamidopyridine
| Molecular Formula | C6H6N2S |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.02516 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 4621-66-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=S)N |
| InChIKey | XQWBMZWDJAZPPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thionicotinamide (CAS 4621-66-3), with molecular formula C6H6N2S and molecular weight 138.03 g/mol. IUPAC: pyridine-3-carbothioamide.
Chemical Property Profile of Thionicotinamide
Property Insights of Thionicotinamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thionicotinamide. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thionicotinamide. Following Lipinski's Rule of Five, Thionicotinamide has 1 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 Thionicotinamide?
The CAS number of Thionicotinamide is 4621-66-3.
What is the molecular formula of Thionicotinamide?
The molecular formula of Thionicotinamide is C6H6N2S.
What is the molecular weight of Thionicotinamide?
The molecular weight of Thionicotinamide is 138.03 g/mol.
Where can I buy Thionicotinamide?
You can request a quote for Thionicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thionicotinamide?
Yes, KEHONG BIO provides custom synthesis services for Thionicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.