![N-[(4-Pyridinylamino)thioxomethyl]benzamide structure](/static/products/3623/36231-98-8.webp)
N-[(4-Pyridinylamino)thioxomethyl]benzamide
TL;DR: N-[(4-Pyridinylamino)thioxomethyl]benzamide (CAS 36231-98-8) is a chemical compound with molecular formula C13H11N3OS and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(pyridin-4-ylcarbamothioyl)benzamide
Also Known As: Maybridge4_004173, N-(pyridin-4-ylcarbamothioyl)benzamide, IDI1_032995, N-[(4-Pyridinylamino)thioxomethyl]benzamide
| Molecular Formula | C13H11N3OS |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 2.2084 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0623 |
| Heavy Atoms | 18 |
| Complexity | 542.6775 |
Chemical Identifiers
| CAS Number | 36231-98-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=NC=C2 |
Product Overview
N-[(4-Pyridinylamino)thioxomethyl]benzamide (CAS 36231-98-8), with molecular formula C13H11N3OS and molecular weight 257.06 g/mol. IUPAC: N-(pyridin-4-ylcarbamothioyl)benzamide.
Chemical Property Profile of N-[(4-Pyridinylamino)thioxomethyl]benzamide
Property Insights of N-[(4-Pyridinylamino)thioxomethyl]benzamide
The XLogP value of 2.2084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-Pyridinylamino)thioxomethyl]benzamide. With a topological polar surface area (TPSA) of 54.02 Ų, N-[(4-Pyridinylamino)thioxomethyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-Pyridinylamino)thioxomethyl]benzamide has 2 hydrogen bond donor(s) and 3 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 N-[(4-Pyridinylamino)thioxomethyl]benzamide?
The CAS number of N-[(4-Pyridinylamino)thioxomethyl]benzamide is 36231-98-8.
What is the molecular formula of N-[(4-Pyridinylamino)thioxomethyl]benzamide?
The molecular formula of N-[(4-Pyridinylamino)thioxomethyl]benzamide is C13H11N3OS.
What is the molecular weight of N-[(4-Pyridinylamino)thioxomethyl]benzamide?
The molecular weight of N-[(4-Pyridinylamino)thioxomethyl]benzamide is 257.06 g/mol.
Where can I buy N-[(4-Pyridinylamino)thioxomethyl]benzamide?
You can request a quote for N-[(4-Pyridinylamino)thioxomethyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-Pyridinylamino)thioxomethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-Pyridinylamino)thioxomethyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.