2,3-Dichlorophenylmethylsulfone
TL;DR: 2,3-Dichlorophenylmethylsulfone (CAS 116579-39-6) is a chemical compound with molecular formula C7H6Cl2O2S and molecular weight 223.94655 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dichloro-3-methylsulfonylbenzene
Also Known As: 2,3-Dichlorophenylmethylsulfone, 1,2-dichloro-3-methylsulfonylbenzene, 2,3-dichlorophenyl methyl sulfone, methylsulfonyl-dichlorobenzene, Benzene,1,2-dichloro-3-(methylsulfonyl)-
Technical Specifications
| Molecular Formula | C7H6Cl2O2S |
| Molecular Weight | 223.94655 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.94655 Da |
| Heavy Atoms | 12 |
| Complexity | 245.0 |
| SMILES | CS(=O)(=O)C1=C(C(=CC=C1)Cl)Cl |
| InChIKey | XMIYOJPNBYXVBP-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dichlorophenylmethylsulfone
Property Insights of 2,3-Dichlorophenylmethylsulfone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichlorophenylmethylsulfone. With a topological polar surface area (TPSA) of 42.5 Ų, 2,3-Dichlorophenylmethylsulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichlorophenylmethylsulfone 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 2,3-Dichlorophenylmethylsulfone?
The CAS number of 2,3-Dichlorophenylmethylsulfone is 116579-39-6.
What is the molecular formula of 2,3-Dichlorophenylmethylsulfone?
The molecular formula of 2,3-Dichlorophenylmethylsulfone is C7H6Cl2O2S.
What is the molecular weight of 2,3-Dichlorophenylmethylsulfone?
The molecular weight of 2,3-Dichlorophenylmethylsulfone is 223.94655 g/mol.
Where can I buy 2,3-Dichlorophenylmethylsulfone?
You can request a quote for 2,3-Dichlorophenylmethylsulfone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dichlorophenylmethylsulfone?
Yes, CoreyChem provides custom synthesis services for 2,3-Dichlorophenylmethylsulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.