3-(Aminocarbothioyl)pyridinium-1-olate
TL;DR: 3-(Aminocarbothioyl)pyridinium-1-olate (CAS 85320-76-9) 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.
1-oxidopyridin-1-ium-3-carbothioamide
Also Known As: 3-(aminocarbothioyl)pyridinium-1-olate, 3-Carbamothioylpyridine 1-oxide, 1-oxidopyridine-5-carbothioamide, 1-oxidopyridin-1-ium-3-carbothioamide, 1-oxy-thionicotinic acid amide
| Molecular Formula | C6H6N2OS |
|---|---|
| Molecular Weight | 154.02 g/mol |
| LogP | -0.0458 |
| Topological Polar Surface Area | 52.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.02008 |
| Heavy Atoms | 10 |
| Complexity | 261.67966 |
Chemical Identifiers
| CAS Number | 85320-76-9 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[O-])C(=S)N |
Product Overview
3-(Aminocarbothioyl)pyridinium-1-olate (CAS 85320-76-9), with molecular formula C6H6N2OS and molecular weight 154.02 g/mol. IUPAC: 1-oxidopyridin-1-ium-3-carbothioamide.
Chemical Property Profile of 3-(Aminocarbothioyl)pyridinium-1-olate
Property Insights of 3-(Aminocarbothioyl)pyridinium-1-olate
The XLogP value of -0.0458 indicates that 3-(Aminocarbothioyl)pyridinium-1-olate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.96 Ų, 3-(Aminocarbothioyl)pyridinium-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Aminocarbothioyl)pyridinium-1-olate 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 3-(Aminocarbothioyl)pyridinium-1-olate?
The CAS number of 3-(Aminocarbothioyl)pyridinium-1-olate is 85320-76-9.
What is the molecular formula of 3-(Aminocarbothioyl)pyridinium-1-olate?
The molecular formula of 3-(Aminocarbothioyl)pyridinium-1-olate is C6H6N2OS.
What is the molecular weight of 3-(Aminocarbothioyl)pyridinium-1-olate?
The molecular weight of 3-(Aminocarbothioyl)pyridinium-1-olate is 154.02 g/mol.
Where can I buy 3-(Aminocarbothioyl)pyridinium-1-olate?
You can request a quote for 3-(Aminocarbothioyl)pyridinium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aminocarbothioyl)pyridinium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminocarbothioyl)pyridinium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.