2-Thiophenecarboxylic acid, 5-nitro-, methyl ester
TL;DR: 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester (CAS 5832-01-9) is a chemical compound with molecular formula C6H5NO4S and molecular weight 186.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-nitrothiophene-2-carboxylate
Also Known As: Methyl 5-nitrothiophene-2-carboxylate, 5-Nitrothiophene-2-carboxylic acid methyl ester, Methyl 5-nitro-2-thenoate, Methyl 5-nitro-2-thiophenecarboxylate, 5-Nitro-2-(methoxycarbonyl)thiophene
| Molecular Formula | C6H5NO4S |
|---|---|
| Molecular Weight | 186.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.99393 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 5832-01-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(S1)[N+](=O)[O-] |
| InChIKey | ROZWUNOYMSUTKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenecarboxylic acid, 5-nitro-, methyl ester (CAS 5832-01-9), with molecular formula C6H5NO4S and molecular weight 186.99 g/mol. IUPAC: methyl 5-nitrothiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester
Property Insights of 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester has 0 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 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester is 5832-01-9.
What is the molecular formula of 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester is C6H5NO4S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester is 186.99 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.