4-(Methylsulfanylcarbonylamino)benzenesulfonic acid
TL;DR: 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid (CAS 83592-07-8) is a chemical compound with molecular formula C8H9NO4S2 and molecular weight 247.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylsulfanylcarbonylamino)benzenesulfonic acid
Also Known As: 4-(methylsulfanylcarbonylamino)benzenesulfonic acid, 4-{[(methylsulfanyl)carbonyl]amino}benzenesulfonic acid, Benzenesulfonic acid,4-[[(methylthio)carbonyl]amino]-, 4-{[(Methylsulfanyl)carbonyl]amino}benzene-1-sulfonic acid
| Molecular Formula | C8H9NO4S2 |
|---|---|
| Molecular Weight | 247.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.9973 |
| Heavy Atoms | 15 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 83592-07-8 |
|---|---|
| SMILES | CSC(=O)NC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | QJVZDYRCIYZGJP-UHFFFAOYSA-N |
Product Overview
4-(Methylsulfanylcarbonylamino)benzenesulfonic acid (CAS 83592-07-8), with molecular formula C8H9NO4S2 and molecular weight 247.00 g/mol. IUPAC: 4-(methylsulfanylcarbonylamino)benzenesulfonic acid.
Chemical Property Profile of 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid
Property Insights of 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid. Following Lipinski's Rule of Five, 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid has 2 hydrogen bond donor(s) and 5 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-(Methylsulfanylcarbonylamino)benzenesulfonic acid?
The CAS number of 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid is 83592-07-8.
What is the molecular formula of 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid?
The molecular formula of 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid is C8H9NO4S2.
What is the molecular weight of 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid?
The molecular weight of 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid is 247.00 g/mol.
Where can I buy 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid?
You can request a quote for 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylsulfanylcarbonylamino)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.