Quintiofos , CAS No.1776-83-6

CAS: 1776-83-6 Cat. No.: Q1333948 EG-Nummer: 217-208-4 PubChem CID: 72069

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Specifications

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Namen und Kennungen

• Kanonisches Lächeln: CCOP(=S)(C1=CC=CC=C1)OC2=CC=CC3=C2N=CC=C3
• IUPAC Name: ethoxy-phenyl-quinolin-8-yloxy-sulfanylidene-\u03bb5-phosphane
• InChIKey: OYFLKNAULOKYRI-UHFFFAOYSA-N
• INCHI: 1S/C17H16NO2PS/c1-2-19-21(22,15-10-4-3-5-11-15)20-16-12-6-8-14-9-7-13-18-17(14)16/h3-13H,2H2,1H3
• Isomere SMILES: CCOP(=S)(C1=CC=CC=C1)OC2=CC=CC3=C2N=CC=C3
• Alternative CAS-Nummer: 1776-83-6
• PubChem CID: 72069

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylphosphonothioates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenylphosphonothioates
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl ethylphosphonothioates
• Alternative Parents: Quinolines and derivatives Pyridines and derivatives Heteroaromatic compounds Organothiophosphorus compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl ethylphosphonothioate - Quinoline - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organothiophosphorus compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenyl ethylphosphonothioates. These are aromatic compounds containing a phenylphosphonothioate group, which is O-esterified with an ethyl group. They have the general structure OP(R)(=S)OR', where R=phenyl group, R' = ethyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 329.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 329.064 Da
• Monoisotopic Mass: 329.064 Da
• Topological Polar Surface Area: 63.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 400.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Wenjing Li, Mengqing Xu, Zhuoyun Xia, Zheng Wang, Yingying Feng, Hui Li, Chuang Jiang, Yingnan Liu.  (2025)  Phosphatase-like Ce4+@UiO-66-NH2 nanozyme-based dual-mode hydrogel nanosensor for visual detection of paraoxon.  FOOD CHEMISTRY,      [PMID:41391400] [10.1016/j.foodchem.2025.147536]

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What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1776-83-6. InChIKey OYFLKNAULOKYRI-UHFFFAOYSA-N.

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