2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide
TL;DR: 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide (CAS 488813-06-5) is a chemical compound with molecular formula C8H8N6OS and molecular weight 236.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide
Also Known As: 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide, 2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide, AJ-292/41685581, 2-(pyrimidin-2-ylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide, 2-pyrimidin-2-ylthio-N-(1,2,4-triazol-4-yl)acetamide
| Molecular Formula | C8H8N6OS |
|---|---|
| Molecular Weight | 236.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.04803 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 488813-06-5 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCC(=O)NN2C=NN=C2 |
| InChIKey | XUHCTAOGGFFJEK-UHFFFAOYSA-N |
Product Overview
2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide (CAS 488813-06-5), with molecular formula C8H8N6OS and molecular weight 236.05 g/mol. IUPAC: 2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide.
Chemical Property Profile of 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide
Property Insights of 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide
The XLogP value of -0.1 indicates that 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide. Following Lipinski's Rule of Five, 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide has 1 hydrogen bond donor(s) and 6 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 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide?
The CAS number of 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide is 488813-06-5.
What is the molecular formula of 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide?
The molecular formula of 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide is C8H8N6OS.
What is the molecular weight of 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide?
The molecular weight of 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide is 236.05 g/mol.
Where can I buy 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide?
You can request a quote for 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.