1-(5-Nitro-2-thienyl)ethanone oxime
TL;DR: 1-(5-Nitro-2-thienyl)ethanone oxime (CAS 42456-39-3) is a chemical compound with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[1-(5-nitrothiophen-2-yl)ethylidene]hydroxylamine
Also Known As: 2-Acetoxime-5-nitrothiophene, 2-Acetyl-5-nitrothiophene oxime, 1-(5-Nitro-2-thienyl)ethanone oxime, Thiophene, 2-acetyl-5-nitro-, oxime, Ketone, methyl (5-nitro-2-thienyl), oxime
| Molecular Formula | C6H6N2O3S |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 1.8545 |
| Topological Polar Surface Area | 75.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00992 |
| Heavy Atoms | 12 |
| Complexity | 331.28912 |
Chemical Identifiers
| CAS Number | 42456-39-3 |
|---|---|
| SMILES | C/C(=N\O)/C1=CC=C(S1)[N+](=O)[O-] |
Product Overview
1-(5-Nitro-2-thienyl)ethanone oxime (CAS 42456-39-3), with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol. IUPAC: (NE)-N-[1-(5-nitrothiophen-2-yl)ethylidene]hydroxylamine.
Chemical Property Profile of 1-(5-Nitro-2-thienyl)ethanone oxime
Property Insights of 1-(5-Nitro-2-thienyl)ethanone oxime
The XLogP value of 1.8545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Nitro-2-thienyl)ethanone oxime. The TPSA of 75.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Nitro-2-thienyl)ethanone oxime. Following Lipinski's Rule of Five, 1-(5-Nitro-2-thienyl)ethanone oxime 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-(5-Nitro-2-thienyl)ethanone oxime?
The CAS number of 1-(5-Nitro-2-thienyl)ethanone oxime is 42456-39-3.
What is the molecular formula of 1-(5-Nitro-2-thienyl)ethanone oxime?
The molecular formula of 1-(5-Nitro-2-thienyl)ethanone oxime is C6H6N2O3S.
What is the molecular weight of 1-(5-Nitro-2-thienyl)ethanone oxime?
The molecular weight of 1-(5-Nitro-2-thienyl)ethanone oxime is 186.01 g/mol.
Where can I buy 1-(5-Nitro-2-thienyl)ethanone oxime?
You can request a quote for 1-(5-Nitro-2-thienyl)ethanone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Nitro-2-thienyl)ethanone oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Nitro-2-thienyl)ethanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.