3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene
TL;DR: 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene (CAS 69649-44-1) is a chemical compound with molecular formula C9H14O4S3 and molecular weight 282.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylsulfonyl-2-methylsulfonylthiophene
Also Known As: BAS 01591691, 3-t-butylsulfonyl-2-methylsulfonylthiophene, 3-(tert-butylsulfonyl)-2-(methylsulfonyl)thiophene, 3-tert-butylsulfonyl-2-methylsulfonylthiophene, 3-[(tert-butyl)sulfonyl]-2-(methylsulfonyl)thiophene
| Molecular Formula | C9H14O4S3 |
|---|---|
| Molecular Weight | 282.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.00543 |
| Heavy Atoms | 16 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 69649-44-1 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C1=C(SC=C1)S(=O)(=O)C |
| InChIKey | KXXHKEBOKQYNSN-UHFFFAOYSA-N |
Product Overview
3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene (CAS 69649-44-1), with molecular formula C9H14O4S3 and molecular weight 282.01 g/mol. IUPAC: 3-tert-butylsulfonyl-2-methylsulfonylthiophene.
Chemical Property Profile of 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene
Property Insights of 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene. Following Lipinski's Rule of Five, 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene 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-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene?
The CAS number of 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene is 69649-44-1.
What is the molecular formula of 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene?
The molecular formula of 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene is C9H14O4S3.
What is the molecular weight of 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene?
The molecular weight of 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene is 282.01 g/mol.
Where can I buy 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene?
You can request a quote for 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-(Tert-butylsulfonyl)-2-(methylsulfonyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.