![3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone structure](/static/products/3031/303151-95-3.webp)
3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone
TL;DR: 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone (CAS 303151-95-3) is a chemical compound with molecular formula C11H11N5O3S and molecular weight 293.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-triazol-1-yl]butan-2-one
Also Known As: 3-{3-[(3-nitropyridin-2-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}butan-2-one, 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone, 11H-033, 3-(3-((3-Nitro-2-pyridinyl)sulfanyl)-1H-1,2,4-triazol-1-yl)-2-butanone, 3-[3-(3-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-1-yl]butan-2-one
| Molecular Formula | C11H11N5O3S |
|---|---|
| Molecular Weight | 293.06 g/mol |
| LogP | 1.8825 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.05826 |
| Heavy Atoms | 20 |
| Complexity | 657.01306 |
Chemical Identifiers
| CAS Number | 303151-95-3 |
|---|---|
| SMILES | CC(C(=O)C)N1C=NC(=N1)SC2=C(C=CC=N2)[N+](=O)[O-] |
Product Overview
3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone (CAS 303151-95-3), with molecular formula C11H11N5O3S and molecular weight 293.06 g/mol. IUPAC: 3-[3-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-triazol-1-yl]butan-2-one.
Chemical Property Profile of 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone
Property Insights of 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone
The XLogP value of 1.8825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone. Following Lipinski's Rule of Five, 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone has 0 hydrogen bond donor(s) and 7 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 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone?
The CAS number of 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone is 303151-95-3.
What is the molecular formula of 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone?
The molecular formula of 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone is C11H11N5O3S.
What is the molecular weight of 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone?
The molecular weight of 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone is 293.06 g/mol.
Where can I buy 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone?
You can request a quote for 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.