1-(5-Nitrothiophen-3-yl)ethan-1-one
TL;DR: 1-(5-Nitrothiophen-3-yl)ethan-1-one (CAS 58157-89-4) is a chemical compound with molecular formula C6H5NO3S and molecular weight 171.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-nitrothiophen-3-yl)ethanone
Also Known As: 4-Acetyl-2-nitrothiophene, 1-(5-nitrothiophen-3-yl)ethanone, 1-(5-nitro-3-thienyl)ethan-1-one, 1-(5-nitrothiophen-3-yl)ethan-1-one, Maybridge1_007887
| Molecular Formula | C6H5NO3S |
|---|---|
| Molecular Weight | 171.00 g/mol |
| LogP | 1.8589 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.99901 |
| Heavy Atoms | 11 |
| Complexity | 276.03098 |
Chemical Identifiers
| CAS Number | 58157-89-4 |
|---|---|
| SMILES | CC(=O)C1=CSC(=C1)[N+](=O)[O-] |
Product Overview
1-(5-Nitrothiophen-3-yl)ethan-1-one (CAS 58157-89-4), with molecular formula C6H5NO3S and molecular weight 171.00 g/mol. IUPAC: 1-(5-nitrothiophen-3-yl)ethanone.
Chemical Property Profile of 1-(5-Nitrothiophen-3-yl)ethan-1-one
Property Insights of 1-(5-Nitrothiophen-3-yl)ethan-1-one
The XLogP value of 1.8589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Nitrothiophen-3-yl)ethan-1-one. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Nitrothiophen-3-yl)ethan-1-one. Following Lipinski's Rule of Five, 1-(5-Nitrothiophen-3-yl)ethan-1-one has 0 hydrogen bond donor(s) and 4 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-Nitrothiophen-3-yl)ethan-1-one?
The CAS number of 1-(5-Nitrothiophen-3-yl)ethan-1-one is 58157-89-4.
What is the molecular formula of 1-(5-Nitrothiophen-3-yl)ethan-1-one?
The molecular formula of 1-(5-Nitrothiophen-3-yl)ethan-1-one is C6H5NO3S.
What is the molecular weight of 1-(5-Nitrothiophen-3-yl)ethan-1-one?
The molecular weight of 1-(5-Nitrothiophen-3-yl)ethan-1-one is 171.00 g/mol.
Where can I buy 1-(5-Nitrothiophen-3-yl)ethan-1-one?
You can request a quote for 1-(5-Nitrothiophen-3-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Nitrothiophen-3-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Nitrothiophen-3-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.