![1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one) structure](/static/products/7446/74462-76-3.webp)
1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one)
TL;DR: 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one) (CAS 74462-76-3) is a chemical compound with molecular formula C14H12N2O6S4 and molecular weight 431.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(5-acetyl-4-methyl-3-nitrothiophen-2-yl)disulfanyl]-3-methyl-4-nitrothiophen-2-yl]ethanone
Also Known As: 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one), 1-[5-[(5-acetyl-4-methyl-3-nitrothiophen-2-yl)disulfanyl]-3-, 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiophene-5,2-diyl)]di(ethan-1-one), 1-[5-[(5-acetyl-4-methyl-3-nitrothiophen-2-yl)disulfanyl]-3-methyl-4-nitrothiophen-2-yl]ethanone
| Molecular Formula | C14H12N2O6S4 |
|---|---|
| Molecular Weight | 431.96 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.95782 |
| Heavy Atoms | 26 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 74462-76-3 |
|---|---|
| SMILES | CC1=C(SC(=C1[N+](=O)[O-])SSC2=C(C(=C(S2)C(=O)C)C)[N+](=O)[O-])C(=O)C |
| InChIKey | DMSYCAHWXZUPNY-UHFFFAOYSA-N |
Product Overview
1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one) (CAS 74462-76-3), with molecular formula C14H12N2O6S4 and molecular weight 431.96 g/mol. IUPAC: 1-[5-[(5-acetyl-4-methyl-3-nitrothiophen-2-yl)disulfanyl]-3-methyl-4-nitrothiophen-2-yl]ethanone.
Chemical Property Profile of 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one)
Property Insights of 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one)
The XLogP value of 4.5 indicates that 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 233.0 Ų indicates high polarity, suggesting 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one) has 0 hydrogen bond donor(s) and 10 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 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one)?
The CAS number of 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one) is 74462-76-3.
What is the molecular formula of 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one)?
The molecular formula of 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one) is C14H12N2O6S4.
What is the molecular weight of 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one)?
The molecular weight of 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one) is 431.96 g/mol.
Where can I buy 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one)?
You can request a quote for 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-[Disulfanediylbis(3-methyl-4-nitrothiene-5,2-diyl)]di(ethan-1-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.