1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate
TL;DR: 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate (CAS 39582-96-2) is a chemical compound with molecular formula C11H12O5S2 and molecular weight 288.01 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) 4-methylbenzenesulfonate
Also Known As: 1,1-dioxo-2,3-dihydro-1, 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate, (1,1-dioxo-2,3-dihydrothiophen-3-yl) 4-methylbenzenesulfonate, 1,1-Dioxido-2,3-dihydrothiophen-3-yl 4-methylbenzenesulfonate, 1,1-Dioxido-2,3-dihydro-3-thienyl 4-methylbenzenesulfonate #
| Molecular Formula | C11H12O5S2 |
|---|---|
| Molecular Weight | 288.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0126 |
| Heavy Atoms | 18 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 39582-96-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CS(=O)(=O)C=C2 |
| InChIKey | SAYGBRLGVYMXRN-UHFFFAOYSA-N |
Product Overview
1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate (CAS 39582-96-2), with molecular formula C11H12O5S2 and molecular weight 288.01 g/mol. IUPAC: (1,1-dioxo-2,3-dihydrothiophen-3-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate
Property Insights of 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate 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-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate?
The CAS number of 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate is 39582-96-2.
What is the molecular formula of 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate?
The molecular formula of 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate is C11H12O5S2.
What is the molecular weight of 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate?
The molecular weight of 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate is 288.01 g/mol.
Where can I buy 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate?
You can request a quote for 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate 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-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.