Echothiophate Iodide , CAS No.513-10-0

CAS: 513-10-0 Cat. No.: E1063120 분자식: C₉H₂₃INO₃PS 분자량: 383.23 PubChem CID: 10547

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

이름과 식별자

• 정식 스마일: CCOP(=O)(OCC)SCC[N+](C)(C)C.[I-]
• IUPAC Name: 2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium;iodide
• InChIKey: OVXQHPWHMXOFRD-UHFFFAOYSA-M
• INCHI: 1S/C9H23NO3PS.HI/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1
• 이성체 SMILES: CCOP(=O)(OCC)SCC[N+](C)(C)C.[I-]
• PubChem CID: 10547
• 분자량: 383.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Sulfenyl compounds Organothiophosphorus compounds Organopnictogen compounds Organooxygen compounds Organic oxides Organic iodide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Sulfenyl compound - Organothiophosphorus compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organosulfur compound - Organooxygen compound - Amine - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• External Descriptors: quaternary ammonium salt - iodide salt

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

화학 및 물리적 특성

• 분자량: 383.230 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 383.018 Da
• Monoisotopic Mass: 383.018 Da
• Topological Polar Surface Area: 60.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 208.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3