2-(4-Nitrophenylthio)acetic acid
TL;DR: 2-(4-Nitrophenylthio)acetic acid (CAS 3406-75-5) is a chemical compound with molecular formula C8H7NO4S and molecular weight 213.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)sulfanylacetic acid
Also Known As: 2-[(4-nitrophenyl)sulfanyl]acetic acid, 2-((4-Nitrophenyl)thio)acetic acid, 2-(4-nitrophenyl)sulfanylacetic acid, 2-(4-Nitrophenylthio)acetic acid, [(4-nitrophenyl)sulfanyl]acetic acid
| Molecular Formula | C8H7NO4S |
|---|---|
| Molecular Weight | 213.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.00958 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 3406-75-5 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)O |
| InChIKey | AMSJBNMFXXARTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Nitrophenylthio)acetic acid (CAS 3406-75-5), with molecular formula C8H7NO4S and molecular weight 213.01 g/mol. IUPAC: 2-(4-nitrophenyl)sulfanylacetic acid.
Chemical Property Profile of 2-(4-Nitrophenylthio)acetic acid
Property Insights of 2-(4-Nitrophenylthio)acetic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenylthio)acetic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenylthio)acetic acid. Following Lipinski's Rule of Five, 2-(4-Nitrophenylthio)acetic acid 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 2-(4-Nitrophenylthio)acetic acid?
The CAS number of 2-(4-Nitrophenylthio)acetic acid is 3406-75-5.
What is the molecular formula of 2-(4-Nitrophenylthio)acetic acid?
The molecular formula of 2-(4-Nitrophenylthio)acetic acid is C8H7NO4S.
What is the molecular weight of 2-(4-Nitrophenylthio)acetic acid?
The molecular weight of 2-(4-Nitrophenylthio)acetic acid is 213.01 g/mol.
Where can I buy 2-(4-Nitrophenylthio)acetic acid?
You can request a quote for 2-(4-Nitrophenylthio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.