4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate
TL;DR: 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate (CAS 40481-00-3) is a chemical compound with molecular formula C11H14O5S2 and molecular weight 290.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-1,1-dioxothiolan-3-yl) benzenesulfonate
Also Known As: 4-methyl-1,1-dioxothiolan-3-yl benzenesulfonate, (4-methyl-1,1-dioxothiolan-3-yl) benzenesulfonate, 3-(benzenesulfonyloxy)-4-methyl-thiolane 1,1-dioxide, 4-methyl-1,1-dioxidotetrahydro-3-thienyl benzenesulfonate
| Molecular Formula | C11H14O5S2 |
|---|---|
| Molecular Weight | 290.03 g/mol |
| LogP | 0.825 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.02826 |
| Heavy Atoms | 18 |
| Complexity | 618.6572 |
Chemical Identifiers
| CAS Number | 40481-00-3 |
|---|---|
| SMILES | CC1CS(=O)(=O)CC1OS(=O)(=O)C2=CC=CC=C2 |
Product Overview
4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate (CAS 40481-00-3), with molecular formula C11H14O5S2 and molecular weight 290.03 g/mol. IUPAC: (4-methyl-1,1-dioxothiolan-3-yl) benzenesulfonate.
Chemical Property Profile of 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate
Property Insights of 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate
The XLogP value of 0.825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate. Following Lipinski's Rule of Five, 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate has 0 hydrogen bond donor(s) and 5 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 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate?
The CAS number of 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate is 40481-00-3.
What is the molecular formula of 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate?
The molecular formula of 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate is C11H14O5S2.
What is the molecular weight of 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate?
The molecular weight of 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate is 290.03 g/mol.
Where can I buy 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate?
You can request a quote for 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1,1-dioxothiolan-3-yl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.