1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate
TL;DR: 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate (CAS 77691-91-9) is a chemical compound with molecular formula C6H8O5S and molecular weight 192.01 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) methyl carbonate
Also Known As: ChemDiv2_001247, 1-hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate, (1,1-dioxo-2,3-dihydrothiophen-3-yl) methyl carbonate, 1,1-dioxido-2,3-dihydrothiophen-3-yl methyl carbonate, 1,1-DIOXO-2,3-DIHYDRO-1??-THIOPHEN-3-YL METHYL CARBONATE
| Molecular Formula | C6H8O5S |
|---|---|
| Molecular Weight | 192.01 g/mol |
| LogP | 0.0801 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.00925 |
| Heavy Atoms | 12 |
| Complexity | 301.90015 |
Chemical Identifiers
| CAS Number | 77691-91-9 |
|---|---|
| SMILES | COC(=O)OC1CS(=O)(=O)C=C1 |
Product Overview
1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate (CAS 77691-91-9), with molecular formula C6H8O5S and molecular weight 192.01 g/mol. IUPAC: (1,1-dioxo-2,3-dihydrothiophen-3-yl) methyl carbonate.
Chemical Property Profile of 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate
Property Insights of 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate
The XLogP value of 0.0801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate. Following Lipinski's Rule of Five, 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate 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-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate?
The CAS number of 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate is 77691-91-9.
What is the molecular formula of 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate?
The molecular formula of 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate is C6H8O5S.
What is the molecular weight of 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate?
The molecular weight of 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate is 192.01 g/mol.
Where can I buy 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate?
You can request a quote for 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-1-oxo-3-2,3-dihydrothienyl methoxyformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.