5-Nitrothiophene-2-carboxaldehyde
TL;DR: 5-Nitrothiophene-2-carboxaldehyde (CAS 4521-33-9) is a chemical compound with molecular formula C5H3NO3S and molecular weight 156.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitrothiophene-2-carbaldehyde
Also Known As: 5-Nitrothiophene-2-Carboxaldehyde, 5-Nitrothiophene-2-carbaldehyde, 5-Nitro-2-thiophenecarboxaldehyde, null, 5-Nitro-thiophene-2-carbaldehyde
| Molecular Formula | C5H3NO3S |
|---|---|
| Molecular Weight | 156.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.98337 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 4521-33-9 |
|---|---|
| SMILES | C1=C(SC(=C1)[N+](=O)[O-])C=O |
| InChIKey | CHTSWZNXEKOLPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitrothiophene-2-carboxaldehyde (CAS 4521-33-9), with molecular formula C5H3NO3S and molecular weight 156.98 g/mol. IUPAC: 5-nitrothiophene-2-carbaldehyde.
Chemical Property Profile of 5-Nitrothiophene-2-carboxaldehyde
Property Insights of 5-Nitrothiophene-2-carboxaldehyde
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrothiophene-2-carboxaldehyde. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrothiophene-2-carboxaldehyde. Following Lipinski's Rule of Five, 5-Nitrothiophene-2-carboxaldehyde 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 5-Nitrothiophene-2-carboxaldehyde?
The CAS number of 5-Nitrothiophene-2-carboxaldehyde is 4521-33-9.
What is the molecular formula of 5-Nitrothiophene-2-carboxaldehyde?
The molecular formula of 5-Nitrothiophene-2-carboxaldehyde is C5H3NO3S.
What is the molecular weight of 5-Nitrothiophene-2-carboxaldehyde?
The molecular weight of 5-Nitrothiophene-2-carboxaldehyde is 156.98 g/mol.
Where can I buy 5-Nitrothiophene-2-carboxaldehyde?
You can request a quote for 5-Nitrothiophene-2-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrothiophene-2-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrothiophene-2-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.