![4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione structure](/static/products/121/121612-31-5.webp)
4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione
TL;DR: 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione (CAS 121612-31-5) is a chemical compound with molecular formula C10H11N3O4S and molecular weight 269.04703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-N-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,2-diamine
Also Known As: (2-aminophenyl)(4-nitro-1,1-dioxido-2,5-dihydro-3-thienyl)amine, 3-((2-aminophenyl)amino)-4-nitro-2,5-dihydrothiophene 1,1-dioxide, 4-[(2-aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione, 2-N-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,2-diamine, N-(4-nitro-1,1-dioxido-2,5-dihydrothiophen-3-yl)benzene-1,2-diamine
Technical Specifications
| Molecular Formula | C10H11N3O4S |
| Molecular Weight | 269.04703 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.04703 Da |
| Heavy Atoms | 18 |
| Complexity | 474.0 |
| SMILES | C1C(=C(CS1(=O)=O)[N+](=O)[O-])NC2=CC=CC=C2N |
| InChIKey | JKXWYLQEBGDHAY-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione
Property Insights of 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione. Following Lipinski's Rule of Five, 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione?
The CAS number of 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione is 121612-31-5.
What is the molecular formula of 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione?
The molecular formula of 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione is C10H11N3O4S.
What is the molecular weight of 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione?
The molecular weight of 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione is 269.04703 g/mol.
Where can I buy 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione?
You can request a quote for 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione?
Yes, CoreyChem provides custom synthesis services for 4-[(2-Aminophenyl)amino]-3-nitro-2,5-dihydrothiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.