1-Phenyl-2-sulfanylidenepyridine-3-carboxamide
TL;DR: 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide (CAS 91540-53-3) is a chemical compound with molecular formula C12H10N2OS and molecular weight 230.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-sulfanylidenepyridine-3-carboxamide
Also Known As: 1-phenyl-2-sulfanylidenepyridine-3-carboxamide, 3-Pyridinecarboxamide,1,2-dihydro-1-phenyl-2-thioxo-, 1-Phenyl-2-sulfanylidene-1,2-dihydropyridine-3-carboxamide
| Molecular Formula | C12H10N2OS |
|---|---|
| Molecular Weight | 230.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.05139 |
| Heavy Atoms | 16 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 91540-53-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=CC=C(C2=S)C(=O)N |
| InChIKey | JKOWATYRKPSXHB-UHFFFAOYSA-N |
Product Overview
1-Phenyl-2-sulfanylidenepyridine-3-carboxamide (CAS 91540-53-3), with molecular formula C12H10N2OS and molecular weight 230.05 g/mol. IUPAC: 1-phenyl-2-sulfanylidenepyridine-3-carboxamide.
Chemical Property Profile of 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide
Property Insights of 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide. Following Lipinski's Rule of Five, 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide 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 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide?
The CAS number of 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide is 91540-53-3.
What is the molecular formula of 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide?
The molecular formula of 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide is C12H10N2OS.
What is the molecular weight of 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide?
The molecular weight of 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide is 230.05 g/mol.
Where can I buy 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide?
You can request a quote for 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-sulfanylidenepyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.