1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one
TL;DR: 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one (CAS 1009-57-0) 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.
1-(5-amino-4-nitrothiophen-2-yl)ethanone
Also Known As: 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one, 2-Amino-3-nitro-5-acetylthiophen, 2-Amino-5-acetyl-3-nitrothiophen, 1-(5-amino-4-nitrothiophen-2-yl)ethanone, RefChem:225655
| Molecular Formula | C6H6N2O3S |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.00992 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 1009-57-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(S1)N)[N+](=O)[O-] |
| InChIKey | ONYOSWJTGVFPDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one (CAS 1009-57-0), with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol. IUPAC: 1-(5-amino-4-nitrothiophen-2-yl)ethanone.
Chemical Property Profile of 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one
Property Insights of 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one. Following Lipinski's Rule of Five, 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one 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-Amino-4-nitrothiophen-2-yl)ethan-1-one?
The CAS number of 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one is 1009-57-0.
What is the molecular formula of 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one?
The molecular formula of 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one is C6H6N2O3S.
What is the molecular weight of 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one?
The molecular weight of 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one is 186.01 g/mol.
Where can I buy 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one?
You can request a quote for 1-(5-Amino-4-nitrothiophen-2-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-Amino-4-nitrothiophen-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.