1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate
TL;DR: 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate (CAS 39582-95-1) is a chemical compound with molecular formula C10H10O5S2 and molecular weight 274.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxo-2,3-dihydrothiophen-3-yl) benzenesulfonate
Also Known As: 2-sulfolen-4-yl benzenesulfonate, 1,1-dioxo-3-2,3-dihydrothienyl benzenesulfonate, BAS 00159012, 1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate, (1,1-dioxo-2,3-dihydrothiophen-3-yl) benzenesulfonate
| Molecular Formula | C10H10O5S2 |
|---|---|
| Molecular Weight | 274.00 g/mol |
| LogP | 0.7026 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.99698 |
| Heavy Atoms | 17 |
| Complexity | 628.5336 |
Chemical Identifiers
| CAS Number | 39582-95-1 |
|---|---|
| SMILES | C1C(C=CS1(=O)=O)OS(=O)(=O)C2=CC=CC=C2 |
Product Overview
1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate (CAS 39582-95-1), with molecular formula C10H10O5S2 and molecular weight 274.00 g/mol. IUPAC: (1,1-dioxo-2,3-dihydrothiophen-3-yl) benzenesulfonate.
Chemical Property Profile of 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate
Property Insights of 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate
The XLogP value of 0.7026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate. Following Lipinski's Rule of Five, 1,1-Dioxo-3-2,3-dihydrothienyl 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 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate?
The CAS number of 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate is 39582-95-1.
What is the molecular formula of 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate?
The molecular formula of 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate is C10H10O5S2.
What is the molecular weight of 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate?
The molecular weight of 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate is 274.00 g/mol.
Where can I buy 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate?
You can request a quote for 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.