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

CAS: 74962-29-1 Cat. No.: E156234 Summenformel: C₅H₄OS₄ Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: C1CSC2=C(S1)SC(=O)S2
• Molekulargewicht: 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
    • Klasse Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Schmelzpunkt (°C): 129 °C
• Molekulargewicht: 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