1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate
TL;DR: 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate (CAS 39582-94-0) is a chemical compound with molecular formula C5H8O5S2 and molecular weight 211.98 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) methanesulfonate
Also Known As: 1,1-dioxido-2,3-dihydrothiophen-3-yl methanesulfonate, BAS 00617583, (1,1-dioxo-2,3-dihydrothiophen-3-yl) methanesulfonate, 1,1-dioxo-3-2,3-dihydrothienyl methylsulfonate, F1068-0040
| Molecular Formula | C5H8O5S2 |
|---|---|
| Molecular Weight | 211.98 g/mol |
| LogP | -0.7267 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.98132 |
| Heavy Atoms | 12 |
| Complexity | 387.5545 |
Chemical Identifiers
| CAS Number | 39582-94-0 |
|---|---|
| SMILES | CS(=O)(=O)OC1CS(=O)(=O)C=C1 |
Product Overview
1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate (CAS 39582-94-0), with molecular formula C5H8O5S2 and molecular weight 211.98 g/mol. IUPAC: (1,1-dioxo-2,3-dihydrothiophen-3-yl) methanesulfonate.
Chemical Property Profile of 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate
Property Insights of 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate
The XLogP value of -0.7267 indicates that 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate. Following Lipinski's Rule of Five, 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate 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-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate?
The CAS number of 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate is 39582-94-0.
What is the molecular formula of 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate?
The molecular formula of 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate is C5H8O5S2.
What is the molecular weight of 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate?
The molecular weight of 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate is 211.98 g/mol.
Where can I buy 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate?
You can request a quote for 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxido-2,3-dihydrothiophen-3-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.