(1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate
TL;DR: (1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate (CAS 321971-87-3) 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.
(1,1-dioxothiolan-3-yl)methyl benzenesulfonate
Also Known As: (1,1-dioxothiolan-3-yl)methyl benzenesulfonate, (1,1-dioxidotetrahydro-3-thienyl)methyl benzenesulfonate, (1,1-dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate
| Molecular Formula | C11H14O5S2 |
|---|---|
| Molecular Weight | 290.03 g/mol |
| LogP | 0.8266 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.02826 |
| Heavy Atoms | 18 |
| Complexity | 604.09344 |
Chemical Identifiers
| CAS Number | 321971-87-3 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1COS(=O)(=O)C2=CC=CC=C2 |
Product Overview
(1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate (CAS 321971-87-3), with molecular formula C11H14O5S2 and molecular weight 290.03 g/mol. IUPAC: (1,1-dioxothiolan-3-yl)methyl benzenesulfonate.
Chemical Property Profile of (1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate
Property Insights of (1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate
The XLogP value of 0.8266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate. Following Lipinski's Rule of Five, (1,1-Dioxidotetrahydrothiophen-3-yl)methyl 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-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate?
The CAS number of (1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate is 321971-87-3.
What is the molecular formula of (1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate?
The molecular formula of (1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate is C11H14O5S2.
What is the molecular weight of (1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate?
The molecular weight of (1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate is 290.03 g/mol.
Where can I buy (1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate?
You can request a quote for (1,1-Dioxidotetrahydrothiophen-3-yl)methyl 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-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (1,1-Dioxidotetrahydrothiophen-3-yl)methyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.