3-p-Toluenesulfonyl-3-sulfolene
TL;DR: 3-p-Toluenesulfonyl-3-sulfolene (CAS 69451-79-2) is a chemical compound with molecular formula C11H12O4S2 and molecular weight 272.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfonyl-2,5-dihydrothiophene 1,1-dioxide
Also Known As: 3-p-toluenesulfonyl-3-sulfolene, 3-Tosyl-2,5-dihydrothiophene 1,1-dioxide, 3-Tosyl-2,5-dihydrothiophene1,1-dioxide, 3-(4-methylphenyl)sulfonyl-2,5-dihydrothiophene 1,1-dioxide, 3-((4-Methylphenyl)sulfonyl)-2,5-dihydro-1H-1lambda6-thiophene-1,1-dione
| Molecular Formula | C11H12O4S2 |
|---|---|
| Molecular Weight | 272.02 g/mol |
| LogP | 1.08102 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0177 |
| Heavy Atoms | 17 |
| Complexity | 664.6865 |
Chemical Identifiers
| CAS Number | 69451-79-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CCS(=O)(=O)C2 |
Product Overview
3-p-Toluenesulfonyl-3-sulfolene (CAS 69451-79-2), with molecular formula C11H12O4S2 and molecular weight 272.02 g/mol. IUPAC: 3-(4-methylphenyl)sulfonyl-2,5-dihydrothiophene 1,1-dioxide.
Chemical Property Profile of 3-p-Toluenesulfonyl-3-sulfolene
Property Insights of 3-p-Toluenesulfonyl-3-sulfolene
The XLogP value of 1.08102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-p-Toluenesulfonyl-3-sulfolene. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-p-Toluenesulfonyl-3-sulfolene. Following Lipinski's Rule of Five, 3-p-Toluenesulfonyl-3-sulfolene 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
Frequently Asked Questions
What is the CAS number of 3-p-Toluenesulfonyl-3-sulfolene?
The CAS number of 3-p-Toluenesulfonyl-3-sulfolene is 69451-79-2.
What is the molecular formula of 3-p-Toluenesulfonyl-3-sulfolene?
The molecular formula of 3-p-Toluenesulfonyl-3-sulfolene is C11H12O4S2.
What is the molecular weight of 3-p-Toluenesulfonyl-3-sulfolene?
The molecular weight of 3-p-Toluenesulfonyl-3-sulfolene is 272.02 g/mol.
Where can I buy 3-p-Toluenesulfonyl-3-sulfolene?
You can request a quote for 3-p-Toluenesulfonyl-3-sulfolene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-p-Toluenesulfonyl-3-sulfolene?
Yes, KEHONG BIO provides custom synthesis services for 3-p-Toluenesulfonyl-3-sulfolene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.