6-Propyl-thionicotinamide
TL;DR: 6-Propyl-thionicotinamide (CAS 420095-37-0) is a chemical compound with molecular formula C9H12N2S and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-propylpyridine-3-carbothioamide
Also Known As: 6-Propyl-thionicotinamide, 6-propylpyridine-3-carbothioamide, 3-pyridinecarbothioamide,6-propyl-, 6-Propyl-3-pyridinecarbothioamide #, 3-Pyridinecarbothioamide,6-propyl-(9CI)
| Molecular Formula | C9H12N2S |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 1.6683 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07211 |
| Heavy Atoms | 12 |
| Complexity | 266.36197 |
Chemical Identifiers
| CAS Number | 420095-37-0 |
|---|---|
| SMILES | CCCC1=NC=C(C=C1)C(=S)N |
Product Overview
6-Propyl-thionicotinamide (CAS 420095-37-0), with molecular formula C9H12N2S and molecular weight 180.07 g/mol. IUPAC: 6-propylpyridine-3-carbothioamide.
Chemical Property Profile of 6-Propyl-thionicotinamide
Property Insights of 6-Propyl-thionicotinamide
The XLogP value of 1.6683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Propyl-thionicotinamide. With a topological polar surface area (TPSA) of 38.91 Ų, 6-Propyl-thionicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Propyl-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 6-Propyl-thionicotinamide?
The CAS number of 6-Propyl-thionicotinamide is 420095-37-0.
What is the molecular formula of 6-Propyl-thionicotinamide?
The molecular formula of 6-Propyl-thionicotinamide is C9H12N2S.
What is the molecular weight of 6-Propyl-thionicotinamide?
The molecular weight of 6-Propyl-thionicotinamide is 180.07 g/mol.
Where can I buy 6-Propyl-thionicotinamide?
You can request a quote for 6-Propyl-thionicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Propyl-thionicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 6-Propyl-thionicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.