2-Chlorotoluene-4-sulphonic acid
TL;DR: 2-Chlorotoluene-4-sulphonic acid (CAS 98-34-0) is a chemical compound with molecular formula C7H7ClO3S and molecular weight 205.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-methylbenzenesulfonic acid
Also Known As: Benzenesulfonic acid, 3-chloro-4-methyl-, 3-chloro-4-methylbenzenesulfonic acid, 2-chlortoluen-4-sulfonsyre, 2-Chlorotoluene-4-sulphonic acid, 2-Chlortoluol-4-sulfosaure
| Molecular Formula | C7H7ClO3S |
|---|---|
| Molecular Weight | 205.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.98044 |
| Heavy Atoms | 12 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 98-34-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)O)Cl |
| InChIKey | UPMIEBBZKWZYEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorotoluene-4-sulphonic acid (CAS 98-34-0), with molecular formula C7H7ClO3S and molecular weight 205.98 g/mol. IUPAC: 3-chloro-4-methylbenzenesulfonic acid.
Chemical Property Profile of 2-Chlorotoluene-4-sulphonic acid
Property Insights of 2-Chlorotoluene-4-sulphonic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chlorotoluene-4-sulphonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chlorotoluene-4-sulphonic acid. Following Lipinski's Rule of Five, 2-Chlorotoluene-4-sulphonic acid has 1 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 2-Chlorotoluene-4-sulphonic acid?
The CAS number of 2-Chlorotoluene-4-sulphonic acid is 98-34-0.
What is the molecular formula of 2-Chlorotoluene-4-sulphonic acid?
The molecular formula of 2-Chlorotoluene-4-sulphonic acid is C7H7ClO3S.
What is the molecular weight of 2-Chlorotoluene-4-sulphonic acid?
The molecular weight of 2-Chlorotoluene-4-sulphonic acid is 205.98 g/mol.
Where can I buy 2-Chlorotoluene-4-sulphonic acid?
You can request a quote for 2-Chlorotoluene-4-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorotoluene-4-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorotoluene-4-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.