3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide
TL;DR: 3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide (CAS 76582-30-4) is a chemical compound with molecular formula C6H9ClO4S and molecular weight 211.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-1,1-dioxothiolan-3-yl) acetate
Also Known As: 3-chloro-4-acetoxysulfolane, 4-chloro-1,1-dioxidotetrahydrothiophen-3-yl acetate, (4-chloro-1,1-dioxothiolan-3-yl) acetate, 4-chloro-1,1-dioxothiolan-3-yl acetate, BAS 00157176
| Molecular Formula | C6H9ClO4S |
|---|---|
| Molecular Weight | 211.99 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.99101 |
| Heavy Atoms | 12 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 76582-30-4 |
|---|---|
| SMILES | CC(=O)OC1CS(=O)(=O)CC1Cl |
| InChIKey | RTTWIOWKOBUYCF-UHFFFAOYSA-N |
Product Overview
3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide (CAS 76582-30-4), with molecular formula C6H9ClO4S and molecular weight 211.99 g/mol. IUPAC: (4-chloro-1,1-dioxothiolan-3-yl) acetate.
Chemical Property Profile of 3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide
Property Insights of 3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide. Following Lipinski's Rule of Five, 3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide has 0 hydrogen bond donor(s) and 4 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-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide?
The CAS number of 3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide is 76582-30-4.
What is the molecular formula of 3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide?
The molecular formula of 3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide is C6H9ClO4S.
What is the molecular weight of 3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide?
The molecular weight of 3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide is 211.99 g/mol.
Where can I buy 3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide?
You can request a quote for 3-Acetoxy-4-chlorotetrahydrothiophene 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-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxy-4-chlorotetrahydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.