5-Chloro-2,3-dihydrothiophene 1,1-dioxide - ≥95% , CAS No.56879-02-8

CAS: 56879-02-8 Cat. No.: C1319385 Peso molecular: 152.6

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CS(=O)(=O)C(=C1)Cl
• IUPAC Name: 5-chloro-2,3-dihydrothiophene 1,1-dioxide
• InChIKey: GOFJEUGVRXSVIH-UHFFFAOYSA-N
• INCHI: 1S/C4H5ClO2S/c5-4-2-1-3-8(4,6)7/h2H,1,3H2
• Peso molecular: 152.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dihydrothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dihydrothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dihydrothiophenes
• Alternative Parents: Sulfones Ketene acetals Vinyl chlorides Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Sulfone - 2,3-dihydrothiophene - Ketene acetal or derivatives - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dihydrothiophenes. These are compounds containing a dihydrothiophene moiety, which is a thiophene derivative with only one double bond.
• 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: 152.600 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.97 Da
• Monoisotopic Mass: 151.97 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 209.000
• 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: 1