2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester
TL;DR: 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester (CAS 74462-74-1) is a chemical compound with molecular formula C16H16N2O8S4 and molecular weight 491.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(5-ethoxycarbonyl-4-methyl-3-nitrothiophen-2-yl)disulfanyl]-3-methyl-4-nitrothiophene-2-carboxylate
Also Known As: 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester, Ethyl 5-((5-ethoxycarbonyl-4-methyl-3-nitrothiophen-2-yl)disulfanyl)-3-methyl-4-nitrothiophene-2-carboxylate, ethyl 5-[(5-ethoxycarbonyl-4-methyl-3-nitrothiophen-2-yl)dis, Diethyl 5,5'-disulfanediylbis(3-methyl-4-nitrothiophene-2-carboxylate), 2-Thiophenecarboxylic acid, 5,5'-dithiobis[3-methyl-4-nitro-, diethyl ester
| Molecular Formula | C16H16N2O8S4 |
|---|---|
| Molecular Weight | 491.98 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 251.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 491.97894 |
| Heavy Atoms | 30 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 74462-74-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)SSC2=C(C(=C(S2)C(=O)OCC)C)[N+](=O)[O-])[N+](=O)[O-])C |
| InChIKey | KTAAYGLXGZVVEW-UHFFFAOYSA-N |
Product Overview
2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester (CAS 74462-74-1), with molecular formula C16H16N2O8S4 and molecular weight 491.98 g/mol. IUPAC: ethyl 5-[(5-ethoxycarbonyl-4-methyl-3-nitrothiophen-2-yl)disulfanyl]-3-methyl-4-nitrothiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester
Property Insights of 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester
The XLogP value of 5.5 indicates that 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 251.0 Ų indicates high polarity, suggesting 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester is 74462-74-1.
What is the molecular formula of 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester is C16H16N2O8S4.
What is the molecular weight of 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester is 491.98 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 5,5'-dithiobis(3-methyl-4-nitro-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.