2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone
TL;DR: 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone (CAS 339159-20-5) is a chemical compound with molecular formula C8H6N4O3S and molecular weight 238.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone
Also Known As: ZERO/003040, 2-(3-nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone, 2-(3-Nitro-1H-1,2,4-triazol-1-yl)-1-(2-thienyl)ethanone, 2-(3-nitro-1{H}-1,2,4-triazol-1-yl)-1-(2-thienyl)ethanone, 2-(3-Nitro-1H-1,2,4-triazol-1-yl)-1-(2-thienyl)-1-ethanone
| Molecular Formula | C8H6N4O3S |
|---|---|
| Molecular Weight | 238.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.01607 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 339159-20-5 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)CN2C=NC(=N2)[N+](=O)[O-] |
| InChIKey | GFXFAGAEKYLMNV-UHFFFAOYSA-N |
Product Overview
2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone (CAS 339159-20-5), with molecular formula C8H6N4O3S and molecular weight 238.02 g/mol. IUPAC: 2-(3-nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone.
Chemical Property Profile of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone
Property Insights of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone. Following Lipinski's Rule of Five, 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone has 0 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-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone?
The CAS number of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone is 339159-20-5.
What is the molecular formula of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone?
The molecular formula of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone is C8H6N4O3S.
What is the molecular weight of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone?
The molecular weight of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone is 238.02 g/mol.
Where can I buy 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone?
You can request a quote for 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.