4-Chlorotoluene-3-sulphonic acid
TL;DR: 4-Chlorotoluene-3-sulphonic acid (CAS 56919-12-1) is a chemical compound with molecular formula C7H7ClO3S and molecular weight 205.98044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-5-methylbenzenesulfonic acid
Also Known As: 4-Galloylquinic acid, 4-Chlorotoluene-3-sulphonic acid, 2-chloro-5-methylbenzenesulfonic acid, 4-Chlortoluol-3-sulfonsaeure, Benzenesulfonic acid,2-chloro-5-methyl-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7ClO3S |
| Molecular Weight | 205.98044 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.98044 Da |
| Heavy Atoms | 12 |
| Complexity | 244.0 |
| SMILES | CC1=CC(=C(C=C1)Cl)S(=O)(=O)O |
| InChIKey | ZZKWWRXVSXCBIU-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chlorotoluene-3-sulphonic acid
Property Insights of 4-Chlorotoluene-3-sulphonic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorotoluene-3-sulphonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorotoluene-3-sulphonic acid. Following Lipinski's Rule of Five, 4-Chlorotoluene-3-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
What is the CAS number of 4-Chlorotoluene-3-sulphonic acid?
The CAS number of 4-Chlorotoluene-3-sulphonic acid is 56919-12-1.
What is the molecular formula of 4-Chlorotoluene-3-sulphonic acid?
The molecular formula of 4-Chlorotoluene-3-sulphonic acid is C7H7ClO3S.
What is the molecular weight of 4-Chlorotoluene-3-sulphonic acid?
The molecular weight of 4-Chlorotoluene-3-sulphonic acid is 205.98044 g/mol.
Where can I buy 4-Chlorotoluene-3-sulphonic acid?
You can request a quote for 4-Chlorotoluene-3-sulphonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlorotoluene-3-sulphonic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chlorotoluene-3-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.