2,6-Dimethylbenzene-1-sulfonyl chloride
TL;DR: 2,6-Dimethylbenzene-1-sulfonyl chloride (CAS 1398065-66-1) is a chemical compound with molecular formula C8H9ClO2S and molecular weight 204.00117 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethylbenzenesulfonyl chloride
Also Known As: 2,6-DIMETHYLBENZENE-1-SULFONYL CHLORIDE, 2,6-dimethylbenzenesulfonyl Chloride, Benzenesulfonyl chloride, 2,6-dimethyl-, m-Xylol-2-sulfonylchlorid, 2,6-Xylenesulfonyl Chloride;
Technical Specifications
| Molecular Formula | C8H9ClO2S |
| Molecular Weight | 204.00117 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.00117 Da |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
| SMILES | CC1=C(C(=CC=C1)C)S(=O)(=O)Cl |
| InChIKey | FKRXAOXJRNLGQK-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Dimethylbenzene-1-sulfonyl chloride
Property Insights of 2,6-Dimethylbenzene-1-sulfonyl chloride
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethylbenzene-1-sulfonyl chloride. With a topological polar surface area (TPSA) of 42.5 Ų, 2,6-Dimethylbenzene-1-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylbenzene-1-sulfonyl chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-Dimethylbenzene-1-sulfonyl chloride?
The CAS number of 2,6-Dimethylbenzene-1-sulfonyl chloride is 1398065-66-1.
What is the molecular formula of 2,6-Dimethylbenzene-1-sulfonyl chloride?
The molecular formula of 2,6-Dimethylbenzene-1-sulfonyl chloride is C8H9ClO2S.
What is the molecular weight of 2,6-Dimethylbenzene-1-sulfonyl chloride?
The molecular weight of 2,6-Dimethylbenzene-1-sulfonyl chloride is 204.00117 g/mol.
Where can I buy 2,6-Dimethylbenzene-1-sulfonyl chloride?
You can request a quote for 2,6-Dimethylbenzene-1-sulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dimethylbenzene-1-sulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for 2,6-Dimethylbenzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.