Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane
TL;DR: Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane (CAS 369609-39-2) is a chemical compound with molecular formula C12H12N2O8S5 and molecular weight 471.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethylsulfonyl-2-(5-ethylsulfonyl-3-nitrothiophen-2-yl)sulfanyl-3-nitrothiophene
Also Known As: bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane, 2,2'-sulfanediylbis[5-(ethylsulfonyl)-3-nitrothiophene], 5-ethylsulfonyl-2-(5-ethylsulfonyl-3-nitrothiophen-2-yl)sulfanyl-3-nitrothiophene
| Molecular Formula | C12H12N2O8S5 |
|---|---|
| Molecular Weight | 471.92 g/mol |
| LogP | 3.3644 |
| Topological Polar Surface Area | 154.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.9197 |
| Heavy Atoms | 27 |
| Complexity | 1024.5973 |
Chemical Identifiers
| CAS Number | 369609-39-2 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC(=C(S1)SC2=C(C=C(S2)S(=O)(=O)CC)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane (CAS 369609-39-2), with molecular formula C12H12N2O8S5 and molecular weight 471.92 g/mol. IUPAC: 5-ethylsulfonyl-2-(5-ethylsulfonyl-3-nitrothiophen-2-yl)sulfanyl-3-nitrothiophene.
Chemical Property Profile of Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane
Property Insights of Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane
The XLogP value of 3.3644 indicates that Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.56 Ų indicates high polarity, suggesting Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane?
The CAS number of Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane is 369609-39-2.
What is the molecular formula of Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane?
The molecular formula of Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane is C12H12N2O8S5.
What is the molecular weight of Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane?
The molecular weight of Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane is 471.92 g/mol.
Where can I buy Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane?
You can request a quote for Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane?
Yes, KEHONG BIO provides custom synthesis services for Bis(5-(ethylsulfonyl)-3-nitrothiophen-2-yl)sulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.