Cyclopropyl (imino)(methyl)-lambda6-sulfanone - ≥95% , CAS No.1609964-41-1

CAS: 1609964-41-1 Cat. No.: C980761 Fórmula: C₄H₉NOS Peso molecular: 119.19 PubChem CID: 90139499

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CS(=N)(=O)C1CC1
• IUPAC Name: cyclopropyl-imino-methyl-oxo-λ6-sulfane
• InChIKey: LNTPJYRBBKGUMA-UHFFFAOYSA-N
• INCHI: 1S/C4H9NOS/c1-7(5,6)4-2-3-4/h4-5H,2-3H2,1H3
• Isómeros SMILES: CS(=N)(=O)C1CC1
• PubChem CID: 90139499
• Peso molecular: 119.19

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: 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 homomonocyclic compounds
• Substituents: Carbo-azosulfone - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 119.190 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 119.04 Da
• Monoisotopic Mass: 119.04 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 165.000
• 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