2-(3,5-Dinitrophenylthio)propanoic acid
TL;DR: 2-(3,5-Dinitrophenylthio)propanoic acid (CAS 883291-50-7) is a chemical compound with molecular formula C9H8N2O6S and molecular weight 272.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dinitrophenyl)sulfanylpropanoic acid
Also Known As: ZERO/006192, 2-(3,5-dinitrophenyl)sulfanylpropanoic acid, 2-(3,5-dinitrophenylthio)propanoic acid, 2-[(3,5-dinitrophenyl)sulfanyl]propanoic acid, Propanoic acid, 2-[(3,5-dinitrophenyl)thio]-
| Molecular Formula | C9H8N2O6S |
|---|---|
| Molecular Weight | 272.01 g/mol |
| LogP | 2.0682 |
| Topological Polar Surface Area | 123.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.0103 |
| Heavy Atoms | 18 |
| Complexity | 485.52936 |
Chemical Identifiers
| CAS Number | 883291-50-7 |
|---|---|
| SMILES | CC(C(=O)O)SC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(3,5-Dinitrophenylthio)propanoic acid (CAS 883291-50-7), with molecular formula C9H8N2O6S and molecular weight 272.01 g/mol. IUPAC: 2-(3,5-dinitrophenyl)sulfanylpropanoic acid.
Chemical Property Profile of 2-(3,5-Dinitrophenylthio)propanoic acid
Property Insights of 2-(3,5-Dinitrophenylthio)propanoic acid
The XLogP value of 2.0682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-Dinitrophenylthio)propanoic acid. The TPSA of 123.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-Dinitrophenylthio)propanoic acid. Following Lipinski's Rule of Five, 2-(3,5-Dinitrophenylthio)propanoic acid has 1 hydrogen bond donor(s) and 6 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-(3,5-Dinitrophenylthio)propanoic acid?
The CAS number of 2-(3,5-Dinitrophenylthio)propanoic acid is 883291-50-7.
What is the molecular formula of 2-(3,5-Dinitrophenylthio)propanoic acid?
The molecular formula of 2-(3,5-Dinitrophenylthio)propanoic acid is C9H8N2O6S.
What is the molecular weight of 2-(3,5-Dinitrophenylthio)propanoic acid?
The molecular weight of 2-(3,5-Dinitrophenylthio)propanoic acid is 272.01 g/mol.
Where can I buy 2-(3,5-Dinitrophenylthio)propanoic acid?
You can request a quote for 2-(3,5-Dinitrophenylthio)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dinitrophenylthio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dinitrophenylthio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.