Ethyl(imino)methyl-lambda6-sulfanone - ≥95% , CAS No.35362-83-5

CAS: 35362-83-5 Cat. No.: E1326575 Summenformel: C₃H₉NOS Molekulargewicht: 107.18 EG-Nummer: 867-486-1 PubChem CID: 13600391

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CCS(=N)(=O)C
• IUPAC Name: ethyl-imino-methyl-oxo-λ6-sulfane
• InChIKey: VGQYFOJSWJEAII-UHFFFAOYSA-N
• INCHI: 1S/C3H9NOS/c1-3-6(2,4)5/h4H,3H2,1-2H3
• Isomere SMILES: CCS(=N)(=O)C
• PubChem CID: 13600391
• Molekulargewicht: 107.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Sulfonyls
      • Subclass Carbo-azosulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Sulfonyls
• Subclass: Carbo-azosulfones
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbo-azosulfones
• Alternative Parents: Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbo-azosulfone - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carbo-azosulfones. These are organosulfur compounds with the general formula RS(R')(=N)=O (R,R' = alkyl groups).
• 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: 107.180 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 107.04 Da
• Monoisotopic Mass: 107.04 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 123.000
• 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