1,2-Dimethyl-4-(methylsulfonyl)benzene
TL;DR: 1,2-Dimethyl-4-(methylsulfonyl)benzene (CAS 38452-49-2) is a chemical compound with molecular formula C9H12O2S and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethyl-4-methylsulfonylbenzene
Also Known As: 3,4-Dimethylphenylmethylsulfone, 4-methanesulfonyl-1,2-dimethylbenzene, Not Available, 1,2-dimethyl-4-(methylsulfonyl)benzene, 1,2-dimethyl-4-methylsulfonylbenzene
| Molecular Formula | C9H12O2S |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 1.70694 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.0558 |
| Heavy Atoms | 12 |
| Complexity | 390.9896 |
Chemical Identifiers
| CAS Number | 38452-49-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C)C |
Product Overview
1,2-Dimethyl-4-(methylsulfonyl)benzene (CAS 38452-49-2), with molecular formula C9H12O2S and molecular weight 184.06 g/mol. IUPAC: 1,2-dimethyl-4-methylsulfonylbenzene.
Chemical Property Profile of 1,2-Dimethyl-4-(methylsulfonyl)benzene
Property Insights of 1,2-Dimethyl-4-(methylsulfonyl)benzene
The XLogP value of 1.70694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethyl-4-(methylsulfonyl)benzene. With a topological polar surface area (TPSA) of 34.14 Ų, 1,2-Dimethyl-4-(methylsulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethyl-4-(methylsulfonyl)benzene 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
Frequently Asked Questions
What is the CAS number of 1,2-Dimethyl-4-(methylsulfonyl)benzene?
The CAS number of 1,2-Dimethyl-4-(methylsulfonyl)benzene is 38452-49-2.
What is the molecular formula of 1,2-Dimethyl-4-(methylsulfonyl)benzene?
The molecular formula of 1,2-Dimethyl-4-(methylsulfonyl)benzene is C9H12O2S.
What is the molecular weight of 1,2-Dimethyl-4-(methylsulfonyl)benzene?
The molecular weight of 1,2-Dimethyl-4-(methylsulfonyl)benzene is 184.06 g/mol.
Where can I buy 1,2-Dimethyl-4-(methylsulfonyl)benzene?
You can request a quote for 1,2-Dimethyl-4-(methylsulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethyl-4-(methylsulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethyl-4-(methylsulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.