Tetrakis(ethylthio)tetrathiafulvalene - Reagent grade , CAS No.104515-79-9

CAS: 104515-79-9 Cat. No.: T345848 Peso molecular: 444.79 PubChem CID: 3524833

GRADE & PURITY Reagent Grade

Synonyms

2-[4,5-bis(ethylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(ethylsulfanyl)-1,3-dithiole | AKOS001028089 | MFCD00137866 | 2,3,6,7-TETRAKIS(ETHYLTHIO)TETRATHIAFULVALENE | DTXSID00393303 | C14H20S8 | Tetrakis(ethylthio)tetrahiafulvalene | D92488 | J-001188 | 4,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-[4, 5-bis(ethylsulfanyl)-1, 3-dithiol-2-ylidene]-4, 5-bis(ethylsulfanyl)-1, 3-dithiole | AKOS001028089 | MFCD00137866 | 2, 3, 6, 7-TETRAKIS(ETHYLTHIO)TETRATHIAFULVALENE | DTXSID00393303 | C14H20S8 | Tetrakis(ethylthio)tetrahiafulvalene | D92488 | J-001188 | 4,

Especificaciones y pureza

Reagent grade

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Reagent Grade

Nombres e identificadores

• Pubchem Sid: 504762597
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762597
• Sonrisas canónicas: CCSC1=C(SC(=C2SC(=C(S2)SCC)SCC)S1)SCC
• IUPAC Name: 2-[4,5-bis(ethylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(ethylsulfanyl)-1,3-dithiole
• InChIKey: LLDJYFLUQDMPQI-UHFFFAOYSA-N
• INCHI: 1S/C14H20S8/c1-5-15-9-10(16-6-2)20-13(19-9)14-21-11(17-7-3)12(22-14)18-8-4/h5-8H2,1-4H3
• Isómeros SMILES: CCSC1=C(SC(=C2SC(=C(S2)SCC)SCC)S1)SCC
• PubChem CID: 3524833
• Peso molecular: 444.79

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dithioles
      • Subclass 1,3-dithioles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dithioles
• Subclass: 1,3-dithioles
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dithioles
• Alternative Parents: Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3-dithiole - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3-dithioles. These are compounds containing a 5-membered unsaturated ring with three carbon atoms, and two sulfur atoms at the 1- and 3-positions, respectively.
• 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: Heat sensitive;Moisture sensitive
• Punto de fusión (°C): 72℃
• Peso molecular: 444.800 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 443.933 Da
• Monoisotopic Mass: 443.933 Da
• Topological Polar Surface Area: 202.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 407.000
• 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