3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide
TL;DR: 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide (CAS 114596-87-1) is a chemical compound with molecular formula C11H12O4S2 and molecular weight 272.0177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzenesulfonyl)-4-methyl-2,5-dihydrothiophene 1,1-dioxide
Also Known As: 3-methyl-4-(phenylsulfonyl)-3-sulfolene, 3-methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide, 3-(benzenesulfonyl)-4-methyl-2,5-dihydrothiophene 1,1-dioxide, 4-methyl-3-(phenylsulfonyl)-2,5-dihydrothiophene-1,1-dione
Technical Specifications
| Molecular Formula | C11H12O4S2 |
| Molecular Weight | 272.0177 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0177 Da |
| Heavy Atoms | 17 |
| Complexity | 523.0 |
| SMILES | CC1=C(CS(=O)(=O)C1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | LHDWXJHZEYPUIR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide
Property Insights of 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide. Following Lipinski's Rule of Five, 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide?
The CAS number of 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide is 114596-87-1.
What is the molecular formula of 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide?
The molecular formula of 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide is C11H12O4S2.
What is the molecular weight of 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide?
The molecular weight of 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide is 272.0177 g/mol.
Where can I buy 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide?
You can request a quote for 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-4-(phenylsulfonyl)-2,5-dihydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.