![2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid structure](/static/products/3088/30880-64-9.webp)
2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid
TL;DR: 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid (CAS 30880-64-9) is a chemical compound with molecular formula C8H6ClNO4S and molecular weight 246.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-4-nitrophenyl)sulfanylacetic acid
Also Known As: 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid, 2-((2-Chloro-4-nitrophenyl)thio)acetic acid, 2-(2-chloro-4-nitrophenyl)sulfanylacetic acid, 2-[ SULFANYL]ACETICACID, 2-[(2-Chloro-4-nitrophenyl)sulphanyl]acetic acid
| Molecular Formula | C8H6ClNO4S |
|---|---|
| Molecular Weight | 246.97 g/mol |
| LogP | 2.4249 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.97061 |
| Heavy Atoms | 15 |
| Complexity | 409.62817 |
Chemical Identifiers
| CAS Number | 30880-64-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)SCC(=O)O |
Product Overview
2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid (CAS 30880-64-9), with molecular formula C8H6ClNO4S and molecular weight 246.97 g/mol. IUPAC: 2-(2-chloro-4-nitrophenyl)sulfanylacetic acid.
Chemical Property Profile of 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid
Property Insights of 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid
The XLogP value of 2.4249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid has 1 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 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid?
The CAS number of 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid is 30880-64-9.
What is the molecular formula of 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid?
The molecular formula of 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid is C8H6ClNO4S.
What is the molecular weight of 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid?
The molecular weight of 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid is 246.97 g/mol.
Where can I buy 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid?
You can request a quote for 2-[(2-Chloro-4-nitrophenyl)sulfanyl]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-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chloro-4-nitrophenyl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.