2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone
TL;DR: 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone (CAS 392713-00-7) is a chemical compound with molecular formula C9H14N4O2S and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
Also Known As: 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone, F1016-0049, 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone, 2-(4-methyl-4H-1,2,4-triazol-3-ylthio)-1-morpholino-1-ethanone, 2-(4-methyl(1,2,4-triazol-3-ylthio))-1-morpholin-4-ylethan-1-one
| Molecular Formula | C9H14N4O2S |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | -0.234 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.08374 |
| Heavy Atoms | 16 |
| Complexity | 362.14587 |
Chemical Identifiers
| CAS Number | 392713-00-7 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)N2CCOCC2 |
Product Overview
2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone (CAS 392713-00-7), with molecular formula C9H14N4O2S and molecular weight 242.08 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone.
Chemical Property Profile of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone
Property Insights of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone
The XLogP value of -0.234 indicates that 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone. Following Lipinski's Rule of Five, 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone has 0 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 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
The CAS number of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is 392713-00-7.
What is the molecular formula of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
The molecular formula of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is C9H14N4O2S.
What is the molecular weight of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
The molecular weight of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is 242.08 g/mol.
Where can I buy 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
You can request a quote for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.