3-Butoxytetrahydrothiophene 1,1-dioxide
TL;DR: 3-Butoxytetrahydrothiophene 1,1-dioxide (CAS 22179-08-4) is a chemical compound with molecular formula C8H16O3S and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butoxythiolane 1,1-dioxide
Also Known As: 3-butoxysulfolane, 3-butoxythiolane 1,1-dioxide, 3-butoxy-1, 3-butoxytetrahydrothiophene 1,1-dioxide, 3-butoxythiolane-1,1-dione
| Molecular Formula | C8H16O3S |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.08202 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 22179-08-4 |
|---|---|
| SMILES | CCCCOC1CCS(=O)(=O)C1 |
| InChIKey | JCVVQHUBXPKCPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butoxytetrahydrothiophene 1,1-dioxide (CAS 22179-08-4), with molecular formula C8H16O3S and molecular weight 192.08 g/mol. IUPAC: 3-butoxythiolane 1,1-dioxide.
Chemical Property Profile of 3-Butoxytetrahydrothiophene 1,1-dioxide
Property Insights of 3-Butoxytetrahydrothiophene 1,1-dioxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butoxytetrahydrothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 51.8 Ų, 3-Butoxytetrahydrothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butoxytetrahydrothiophene 1,1-dioxide has 0 hydrogen bond donor(s) and 3 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 3-Butoxytetrahydrothiophene 1,1-dioxide?
The CAS number of 3-Butoxytetrahydrothiophene 1,1-dioxide is 22179-08-4.
What is the molecular formula of 3-Butoxytetrahydrothiophene 1,1-dioxide?
The molecular formula of 3-Butoxytetrahydrothiophene 1,1-dioxide is C8H16O3S.
What is the molecular weight of 3-Butoxytetrahydrothiophene 1,1-dioxide?
The molecular weight of 3-Butoxytetrahydrothiophene 1,1-dioxide is 192.08 g/mol.
Where can I buy 3-Butoxytetrahydrothiophene 1,1-dioxide?
You can request a quote for 3-Butoxytetrahydrothiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butoxytetrahydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Butoxytetrahydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.