1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate
TL;DR: 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate (CAS 77691-80-6) is a chemical compound with molecular formula C8H12O5S and molecular weight 220.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxothiolan-3-yl) prop-2-enyl carbonate
Also Known As: 1,1-dioxothiolan-3-yl prop-2-enyloxyformate, (1,1-dioxothiolan-3-yl) prop-2-enyl carbonate, allyl 1,1-dioxidotetrahydro-3-thienyl carbonate, 1,1-dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate
| Molecular Formula | C8H12O5S |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 0.5127 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.04054 |
| Heavy Atoms | 14 |
| Complexity | 318.62335 |
Chemical Identifiers
| CAS Number | 77691-80-6 |
|---|---|
| SMILES | C=CCOC(=O)OC1CCS(=O)(=O)C1 |
Product Overview
1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate (CAS 77691-80-6), with molecular formula C8H12O5S and molecular weight 220.04 g/mol. IUPAC: (1,1-dioxothiolan-3-yl) prop-2-enyl carbonate.
Chemical Property Profile of 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate
Property Insights of 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate
The XLogP value of 0.5127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate. Following Lipinski's Rule of Five, 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate 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 prop-2-en-1-yl carbonate?
The CAS number of 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate is 77691-80-6.
What is the molecular formula of 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate?
The molecular formula of 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate is C8H12O5S.
What is the molecular weight of 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate?
The molecular weight of 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate is 220.04 g/mol.
Where can I buy 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate?
You can request a quote for 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate 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 prop-2-en-1-yl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxidotetrahydrothiophen-3-yl prop-2-en-1-yl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.