![1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene structure](/static/products/1262/126218-46-0.webp)
1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene
TL;DR: 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene (CAS 126218-46-0) is a chemical compound with molecular formula C9H11N3O3S2 and molecular weight 273.02417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-[4-[(3-nitro-2-pyridinyl)disulfanyl]but-2-enyl]hydroxylamine
Also Known As: 1-Aonpde, 1-Aminooxy-4-((3-nitro-2-pyridyl)dithio)but-2-ene, 1-(aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene, Pyridine,2-[[4-(aminooxy)-2-butenyl]dithio]-3-nitro-, (E)- (9CI)
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11N3O3S2 |
| Molecular Weight | 273.02417 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.02417 Da |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
| SMILES | C1=CC(=C(N=C1)SSCC=CCON)[N+](=O)[O-] |
| InChIKey | RFSIAWUZOYHFJG-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene
Property Insights of 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene. The TPSA of 145.0 Ų indicates high polarity, suggesting 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene?
The CAS number of 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene is 126218-46-0.
What is the molecular formula of 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene?
The molecular formula of 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene is C9H11N3O3S2.
What is the molecular weight of 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene?
The molecular weight of 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene is 273.02417 g/mol.
Where can I buy 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene?
You can request a quote for 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene?
Yes, CoreyChem provides custom synthesis services for 1-(Aminooxy)-4-[(3-nitro-2-pyridyl)-dithio]but-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.