1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone
TL;DR: 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone (CAS 332869-33-7) is a chemical compound with molecular formula C8H12N4O2S and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-morpholin-4-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: BAS 01862153, 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone, VU0035095-3, 1-morpholin-4-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone, 2-((4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone
| Molecular Formula | C8H12N4O2S |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.0681 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 332869-33-7 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=NC=NN2 |
| InChIKey | GBOXCEKFXITZII-UHFFFAOYSA-N |
Product Overview
1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone (CAS 332869-33-7), with molecular formula C8H12N4O2S and molecular weight 228.07 g/mol. IUPAC: 1-morpholin-4-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone.
Chemical Property Profile of 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone
Property Insights of 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone. Following Lipinski's Rule of Five, 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone has 1 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 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone?
The CAS number of 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone is 332869-33-7.
What is the molecular formula of 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone?
The molecular formula of 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone is C8H12N4O2S.
What is the molecular weight of 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone?
The molecular weight of 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone is 228.07 g/mol.
Where can I buy 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone?
You can request a quote for 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(morpholin-4-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.