Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))-
TL;DR: Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))- (CAS 67465-03-6) is a chemical compound with molecular formula C10H10N4OS and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one
Also Known As: 4H-1,2,4-Triazole, 3-acetonylthio-5-(4-pyridyl)-, 3-Acetonylmercapto-5-(4-pyridyl)-1,2,4(H)-triazole, Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))-, 1-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one, 1-{[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}propan-2-one
| Molecular Formula | C10H10N4OS |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 1.5478 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.05753 |
| Heavy Atoms | 16 |
| Complexity | 482.57407 |
Chemical Identifiers
| CAS Number | 67465-03-6 |
|---|---|
| SMILES | CC(=O)CSC1=NNC(=N1)C2=CC=NC=C2 |
Product Overview
Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))- (CAS 67465-03-6), with molecular formula C10H10N4OS and molecular weight 234.06 g/mol. IUPAC: 1-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one.
Chemical Property Profile of Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))-
Property Insights of Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))-
The XLogP value of 1.5478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))-. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))-. Following Lipinski's Rule of Five, Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))- 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 Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))-?
The CAS number of Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))- is 67465-03-6.
What is the molecular formula of Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))-?
The molecular formula of Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))- is C10H10N4OS.
What is the molecular weight of Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))-?
The molecular weight of Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))- is 234.06 g/mol.
Where can I buy Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))-?
You can request a quote for Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 4-(3-acetonylthio)-5-(4H-(1,2,4-triazolyl))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.