3-Methylbutyl 1,1-dioxothiolane-3-sulfonate
TL;DR: 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate (CAS 443653-69-8) is a chemical compound with molecular formula C9H18O5S2 and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 1,1-dioxothiolane-3-sulfonate
Also Known As: 3-methylbutyl 1,1-dioxothiolane-3-sulfonate, 3-(3-methylbutoxysulfonyl)thiolane 1,1-dioxide, 3-methylbutyl tetrahydrothiophene-3-sulfonate 1,1-dioxide
| Molecular Formula | C9H18O5S2 |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 0.566 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.05957 |
| Heavy Atoms | 16 |
| Complexity | 420.8157 |
Chemical Identifiers
| CAS Number | 443653-69-8 |
|---|---|
| SMILES | CC(C)CCOS(=O)(=O)C1CCS(=O)(=O)C1 |
Product Overview
3-Methylbutyl 1,1-dioxothiolane-3-sulfonate (CAS 443653-69-8), with molecular formula C9H18O5S2 and molecular weight 270.06 g/mol. IUPAC: 3-methylbutyl 1,1-dioxothiolane-3-sulfonate.
Chemical Property Profile of 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate
Property Insights of 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate
The XLogP value of 0.566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate. Following Lipinski's Rule of Five, 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate 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 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate?
The CAS number of 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate is 443653-69-8.
What is the molecular formula of 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate?
The molecular formula of 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate is C9H18O5S2.
What is the molecular weight of 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate?
The molecular weight of 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate is 270.06 g/mol.
Where can I buy 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate?
You can request a quote for 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl 1,1-dioxothiolane-3-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.