N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide
TL;DR: N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide (CAS 354792-85-1) is a chemical compound with molecular formula C11H9N5OS and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Also Known As: BAS 02052551, AN-919/14712117, N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide, 2-(4H-1,2,4-triazol-3-ylthio)-N-(2-cyanophenyl)acetamide, N-(2-CYANOPHENYL)-2-(4H-1,2,4-TRIAZOL-3-YLSULFANYL)ACETAMIDE
| Molecular Formula | C11H9N5OS |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.0528 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 354792-85-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)CSC2=NC=NN2 |
| InChIKey | IRXMXWITJTZGTP-UHFFFAOYSA-N |
Product Overview
N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide (CAS 354792-85-1), with molecular formula C11H9N5OS and molecular weight 259.05 g/mol. IUPAC: N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
Chemical Property Profile of N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide
Property Insights of N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide. Following Lipinski's Rule of Five, N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide has 2 hydrogen bond donor(s) and 5 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-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide?
The CAS number of N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide is 354792-85-1.
What is the molecular formula of N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide?
The molecular formula of N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide is C11H9N5OS.
What is the molecular weight of N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide?
The molecular weight of N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide is 259.05 g/mol.
Where can I buy N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide?
You can request a quote for N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyanophenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.