4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione
TL;DR: 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione (CAS 53381-59-2) is a chemical compound with molecular formula C8H14O4S2 and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide
Also Known As: 3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide, 3-(butylsulfonyl)-2,3-dihydrothiophene 1,1-dioxide, 4-(butylsulfonyl)-4,5-dihydrothiophene-1,1-dione, 3-(butane-1-sulfonyl)-2,3-dihydro-1??-thiophene-1,1-dione
| Molecular Formula | C8H14O4S2 |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 0.512 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.03336 |
| Heavy Atoms | 14 |
| Complexity | 416.25763 |
Chemical Identifiers
| CAS Number | 53381-59-2 |
|---|---|
| SMILES | CCCCS(=O)(=O)C1CS(=O)(=O)C=C1 |
Product Overview
4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione (CAS 53381-59-2), with molecular formula C8H14O4S2 and molecular weight 238.03 g/mol. IUPAC: 3-butylsulfonyl-2,3-dihydrothiophene 1,1-dioxide.
Chemical Property Profile of 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione
Property Insights of 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione
The XLogP value of 0.512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione. Following Lipinski's Rule of Five, 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione 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 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione?
The CAS number of 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione is 53381-59-2.
What is the molecular formula of 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione?
The molecular formula of 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione is C8H14O4S2.
What is the molecular weight of 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione?
The molecular weight of 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione is 238.03 g/mol.
Where can I buy 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione?
You can request a quote for 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(Butylsulfonyl)-4,5-dihydrothiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.