4-Acetylaminobenzenethiosulfonic acid
TL;DR: 4-Acetylaminobenzenethiosulfonic acid (CAS 46331-26-4) is a chemical compound with molecular formula C8H9NO3S2 and molecular weight 231.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-hydroxysulfonothioylphenyl)acetamide
Also Known As: 4-acetylaminobenzenethiosulfonic acid, 4-acetamidobenzenesulfonothioic O-acid, N-(4-hydroxysulfonothioylphenyl)acetamide
| Molecular Formula | C8H9NO3S2 |
|---|---|
| Molecular Weight | 231.00 g/mol |
| LogP | 1.2232 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.00238 |
| Heavy Atoms | 14 |
| Complexity | 436.15912 |
Chemical Identifiers
| CAS Number | 46331-26-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=S)O |
Product Overview
4-Acetylaminobenzenethiosulfonic acid (CAS 46331-26-4), with molecular formula C8H9NO3S2 and molecular weight 231.00 g/mol. IUPAC: N-(4-hydroxysulfonothioylphenyl)acetamide.
Chemical Property Profile of 4-Acetylaminobenzenethiosulfonic acid
Property Insights of 4-Acetylaminobenzenethiosulfonic acid
The XLogP value of 1.2232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetylaminobenzenethiosulfonic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetylaminobenzenethiosulfonic acid. Following Lipinski's Rule of Five, 4-Acetylaminobenzenethiosulfonic acid has 2 hydrogen bond donor(s) and 3 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 4-Acetylaminobenzenethiosulfonic acid?
The CAS number of 4-Acetylaminobenzenethiosulfonic acid is 46331-26-4.
What is the molecular formula of 4-Acetylaminobenzenethiosulfonic acid?
The molecular formula of 4-Acetylaminobenzenethiosulfonic acid is C8H9NO3S2.
What is the molecular weight of 4-Acetylaminobenzenethiosulfonic acid?
The molecular weight of 4-Acetylaminobenzenethiosulfonic acid is 231.00 g/mol.
Where can I buy 4-Acetylaminobenzenethiosulfonic acid?
You can request a quote for 4-Acetylaminobenzenethiosulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylaminobenzenethiosulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylaminobenzenethiosulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.