4,5-Ethylenedithio-1,3-dithiol-2-one - ≥98% , CAS No.74962-29-1

CAS: 74962-29-1 Cat. No.: E156234 Fórmula: C₅H₄OS₄ Peso molecular: 208.33

GRADE & PURITY ≥98%

Synonyms

5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one | 5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-one | E0460 | FT-0617219 | 5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-one # | 1,3-Dithiolo[4,5-b][1,4]dithiin-2-one, 5,6-dihydro- | NMNDMYIFMUGDMA-UHFFFA

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one | 5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-one | E0460 | FT-0617219 | 5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-one # | 1,3-Dithiolo[4,5-b][1,4]dithiin-2-one, 5,6-dihydro- | NMNDMYIFMUGDMA-UHFFFA

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

C1CSC2=C(S1)SC(=O)S2

IUPAC Name

5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one

InChIKey

NMNDMYIFMUGDMA-UHFFFAOYSA-N

INCHI

1S/C5H4OS4/c6-5-9-3-4(10-5)8-2-1-7-3/h1-2H2

Isómeros SMILES

C1CSC2=C(S1)SC(=O)S2

Peso molecular

208.33

Reaxy-Rn

3649680

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3649680&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Alkylarylthioethers Heteroaromatic compounds 1,3-dithioles Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl thioether - Alkylarylthioether - Heteroaromatic compound - Dithiole - 1,3-dithiole - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de fusión (°C): 129 °C
• Peso molecular: 208.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 207.914 Da
• Monoisotopic Mass: 207.914 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 190.000
• 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