![[(3-Nitrobenzyl)thio]acetic acid structure](/static/products/1782/178270-51-4.webp)
[(3-Nitrobenzyl)thio]acetic acid
TL;DR: [(3-Nitrobenzyl)thio]acetic acid (CAS 178270-51-4) 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-[(3-nitrophenyl)methylsulfanyl]acetic acid
Also Known As: [(3-Nitrobenzyl)thio]acetic acid|Oprea1_645943|(3-Nitrobenzyl)thioacetic acid|[(3-Nitrobenzyl)thio]aceticacid|2-[(3-nitrophenyl)methylsulfanyl]acetic acid|acetic acid, [[(3-nitrophenyl)methyl]thio]-|2-{[(3-NITROPHENYL)METHYL]SULFANYL}ACETIC ACID|MFCD01167715|Cambridge id 5710335|ALBB-029432|SMSF0007074
| 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 | 178270-51-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CSCC(=O)O |
Product Overview
[(3-Nitrobenzyl)thio]acetic acid (CAS 178270-51-4), with molecular formula C9H9NO4S and molecular weight 227.03 g/mol. IUPAC: 2-[(3-nitrophenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of [(3-Nitrobenzyl)thio]acetic acid
Property Insights of [(3-Nitrobenzyl)thio]acetic acid
The XLogP value of 1.9126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-Nitrobenzyl)thio]acetic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-Nitrobenzyl)thio]acetic acid. Following Lipinski's Rule of Five, [(3-Nitrobenzyl)thio]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-Nitrobenzyl)thio]acetic acid?
The CAS number of [(3-Nitrobenzyl)thio]acetic acid is 178270-51-4.
What is the molecular formula of [(3-Nitrobenzyl)thio]acetic acid?
The molecular formula of [(3-Nitrobenzyl)thio]acetic acid is C9H9NO4S.
What is the molecular weight of [(3-Nitrobenzyl)thio]acetic acid?
The molecular weight of [(3-Nitrobenzyl)thio]acetic acid is 227.03 g/mol.
Where can I buy [(3-Nitrobenzyl)thio]acetic acid?
You can request a quote for [(3-Nitrobenzyl)thio]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-Nitrobenzyl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(3-Nitrobenzyl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.