3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene
TL;DR: 3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene (CAS 69649-49-6) is a chemical compound with molecular formula C10H16O6S4 and molecular weight 359.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylsulfonyl-2,5-bis(methylsulfonyl)thiophene
Also Known As: Probes1_000112, Probes2_000113, 3-(tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene, 3-tert-butylsulfonyl-2,5-bis(methylsulfonyl)thiophene, 3-t-butylsulfonyl-2,5-di(methylsulfonyl)thiophene
| Molecular Formula | C10H16O6S4 |
|---|---|
| Molecular Weight | 359.98 g/mol |
| LogP | 1.1273 |
| Topological Polar Surface Area | 102.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.98297 |
| Heavy Atoms | 20 |
| Complexity | 832.04944 |
Chemical Identifiers
| CAS Number | 69649-49-6 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C1=C(SC(=C1)S(=O)(=O)C)S(=O)(=O)C |
Product Overview
3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene (CAS 69649-49-6), with molecular formula C10H16O6S4 and molecular weight 359.98 g/mol. IUPAC: 3-tert-butylsulfonyl-2,5-bis(methylsulfonyl)thiophene.
Chemical Property Profile of 3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene
Property Insights of 3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene
The XLogP value of 1.1273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene. The TPSA of 102.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene. Following Lipinski's Rule of Five, 3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene has 0 hydrogen bond donor(s) and 7 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)-2,5-bis(methylsulfonyl)thiophene?
The CAS number of 3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene is 69649-49-6.
What is the molecular formula of 3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene?
The molecular formula of 3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene is C10H16O6S4.
What is the molecular weight of 3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene?
The molecular weight of 3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene is 359.98 g/mol.
Where can I buy 3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene?
You can request a quote for 3-(Tert-butylsulfonyl)-2,5-bis(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)-2,5-bis(methylsulfonyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-(Tert-butylsulfonyl)-2,5-bis(methylsulfonyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.