2-(2-Nitrobenzylthio)acetic acid
TL;DR: 2-(2-Nitrobenzylthio)acetic acid (CAS 1137-55-9) is a chemical compound with molecular formula C9H9NO4S and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-nitrophenyl)methylsulfanyl]acetic acid
Also Known As: 2-(2-nitrobenzylthio)acetic acid, 2-{[(2-nitrophenyl)methyl]sulfanyl}acetic acid, 2-[(2-nitrophenyl)methylsulfanyl]acetic Acid, Acetic acid, 2-[[(2-nitrophenyl)methyl]thio]-
| Molecular Formula | C9H9NO4S |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 1.9126 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.02522 |
| Heavy Atoms | 15 |
| Complexity | 380.13004 |
Chemical Identifiers
| CAS Number | 1137-55-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSCC(=O)O)[N+](=O)[O-] |
Product Overview
2-(2-Nitrobenzylthio)acetic acid (CAS 1137-55-9), with molecular formula C9H9NO4S and molecular weight 227.03 g/mol. IUPAC: 2-[(2-nitrophenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of 2-(2-Nitrobenzylthio)acetic acid
Property Insights of 2-(2-Nitrobenzylthio)acetic acid
The XLogP value of 1.9126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Nitrobenzylthio)acetic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Nitrobenzylthio)acetic acid. Following Lipinski's Rule of Five, 2-(2-Nitrobenzylthio)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-Nitrobenzylthio)acetic acid?
The CAS number of 2-(2-Nitrobenzylthio)acetic acid is 1137-55-9.
What is the molecular formula of 2-(2-Nitrobenzylthio)acetic acid?
The molecular formula of 2-(2-Nitrobenzylthio)acetic acid is C9H9NO4S.
What is the molecular weight of 2-(2-Nitrobenzylthio)acetic acid?
The molecular weight of 2-(2-Nitrobenzylthio)acetic acid is 227.03 g/mol.
Where can I buy 2-(2-Nitrobenzylthio)acetic acid?
You can request a quote for 2-(2-Nitrobenzylthio)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-Nitrobenzylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitrobenzylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.