({3-Nitrophenyl}sulfanyl)acetic acid
TL;DR: ({3-Nitrophenyl}sulfanyl)acetic acid (CAS 3996-40-5) 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-(3-nitrophenyl)sulfanylacetic acid
Also Known As: ({3-nitrophenyl}sulfanyl)acetic acid, 2-(3-nitrophenyl)sulfanylacetic acid, 2-(m-Nitrophenylthio)acetic acid, acetic acid, 2-(3-nitrophenyl)thio-, 2-[(3-nitrophenyl)sulfanyl]acetic acid
| Molecular Formula | C8H7NO4S |
|---|---|
| Molecular Weight | 213.01 g/mol |
| LogP | 1.7715 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.00958 |
| Heavy Atoms | 14 |
| Complexity | 366.11383 |
Chemical Identifiers
| CAS Number | 3996-40-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SCC(=O)O)[N+](=O)[O-] |
Product Overview
({3-Nitrophenyl}sulfanyl)acetic acid (CAS 3996-40-5), with molecular formula C8H7NO4S and molecular weight 213.01 g/mol. IUPAC: 2-(3-nitrophenyl)sulfanylacetic acid.
Chemical Property Profile of ({3-Nitrophenyl}sulfanyl)acetic acid
Property Insights of ({3-Nitrophenyl}sulfanyl)acetic acid
The XLogP value of 1.7715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ({3-Nitrophenyl}sulfanyl)acetic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ({3-Nitrophenyl}sulfanyl)acetic acid. Following Lipinski's Rule of Five, ({3-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 ({3-Nitrophenyl}sulfanyl)acetic acid?
The CAS number of ({3-Nitrophenyl}sulfanyl)acetic acid is 3996-40-5.
What is the molecular formula of ({3-Nitrophenyl}sulfanyl)acetic acid?
The molecular formula of ({3-Nitrophenyl}sulfanyl)acetic acid is C8H7NO4S.
What is the molecular weight of ({3-Nitrophenyl}sulfanyl)acetic acid?
The molecular weight of ({3-Nitrophenyl}sulfanyl)acetic acid is 213.01 g/mol.
Where can I buy ({3-Nitrophenyl}sulfanyl)acetic acid?
You can request a quote for ({3-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 ({3-Nitrophenyl}sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ({3-Nitrophenyl}sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.