3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide
TL;DR: 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide (CAS 53287-37-9) is a chemical compound with molecular formula C16H16O6S3 and molecular weight 400.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(benzenesulfonyl)thiolane 1,1-dioxide
Also Known As: 3,4-diphenylsulfonylsulfolane, 3,4-bis(benzenesulfonyl)-1, 3,4-bis(benzenesulfonyl)thiolane 1,1-dioxide, 3,4-bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide, BIM-0008165.P001
| Molecular Formula | C16H16O6S3 |
|---|---|
| Molecular Weight | 400.01 g/mol |
| LogP | 1.0998 |
| Topological Polar Surface Area | 102.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.0109 |
| Heavy Atoms | 25 |
| Complexity | 989.5738 |
Chemical Identifiers
| CAS Number | 53287-37-9 |
|---|---|
| SMILES | C1C(C(CS1(=O)=O)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide (CAS 53287-37-9), with molecular formula C16H16O6S3 and molecular weight 400.01 g/mol. IUPAC: 3,4-bis(benzenesulfonyl)thiolane 1,1-dioxide.
Chemical Property Profile of 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide
Property Insights of 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide
The XLogP value of 1.0998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide. The TPSA of 102.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide. Following Lipinski's Rule of Five, 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide has 0 hydrogen bond donor(s) and 6 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 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide?
The CAS number of 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide is 53287-37-9.
What is the molecular formula of 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide?
The molecular formula of 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide is C16H16O6S3.
What is the molecular weight of 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide?
The molecular weight of 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide is 400.01 g/mol.
Where can I buy 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide?
You can request a quote for 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 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 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Bis(phenylsulfonyl)tetrahydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.