4,6-Diaminotoluene-2-sulphonic acid
TL;DR: 4,6-Diaminotoluene-2-sulphonic acid (CAS 85153-45-3) is a chemical compound with molecular formula C7H10N2O3S and molecular weight 202.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diamino-2-methylbenzenesulfonic acid
Also Known As: 4,6-Diaminotoluene-2-sulphonic acid, Phenyl 2-chloroacetoacetate, 3,5-diamino-2-methylbenzenesulfonic acid, 4,6-diaminotoluene-2-sulphonicacid, 4,6-DIAMINOTOLUENE-2-SULFONIC ACID
| Molecular Formula | C7H10N2O3S |
|---|---|
| Molecular Weight | 202.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.04121 |
| Heavy Atoms | 13 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 85153-45-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1S(=O)(=O)O)N)N |
| InChIKey | AFUHLZJMSIKUOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Diaminotoluene-2-sulphonic acid (CAS 85153-45-3), with molecular formula C7H10N2O3S and molecular weight 202.04 g/mol. IUPAC: 3,5-diamino-2-methylbenzenesulfonic acid.
Chemical Property Profile of 4,6-Diaminotoluene-2-sulphonic acid
Property Insights of 4,6-Diaminotoluene-2-sulphonic acid
The XLogP value of -0.3 indicates that 4,6-Diaminotoluene-2-sulphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Diaminotoluene-2-sulphonic acid. Following Lipinski's Rule of Five, 4,6-Diaminotoluene-2-sulphonic acid has 3 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 4,6-Diaminotoluene-2-sulphonic acid?
The CAS number of 4,6-Diaminotoluene-2-sulphonic acid is 85153-45-3.
What is the molecular formula of 4,6-Diaminotoluene-2-sulphonic acid?
The molecular formula of 4,6-Diaminotoluene-2-sulphonic acid is C7H10N2O3S.
What is the molecular weight of 4,6-Diaminotoluene-2-sulphonic acid?
The molecular weight of 4,6-Diaminotoluene-2-sulphonic acid is 202.04 g/mol.
Where can I buy 4,6-Diaminotoluene-2-sulphonic acid?
You can request a quote for 4,6-Diaminotoluene-2-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Diaminotoluene-2-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Diaminotoluene-2-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.