Tetrathiafulvalene - ≥98% , CAS No.31366-25-3

CAS: 31366-25-3 Cat. No.: T106845 Peso molecular: 204.36 Beilstein Registry Number: 1617956 Número EC: 250-593-7 PubChem CID: 99451

GRADE & PURITY ≥98%

Synonyms

TTF | tert-butyl N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate | FHCPAXDKURNIOZ-UHFFFAOYSA-N | HMS1755D18 | GSK-525762 | Tetrathiafulvalene (purified by sublimation) | SY007082 | J-018400 | NSC 222862 | YSZC323 | DTXSID6067620 | GDC0152

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

etrathiafulvalene (TTF) is an electron-donor which consists of oligomers, dendrimers and polymers which can be used in the formation of redox macromolecules

Specifications

Sinónimos

TTF | tert-butyl N-[4-(tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridin-2-yl]carbamate | FHCPAXDKURNIOZ-UHFFFAOYSA-N | HMS1755D18 | GSK-525762 | Tetrathiafulvalene (purified by sublimation) | SY007082 | J-018400 | NSC 222862 | YSZC323 | DTXSID6067620 | GDC0152

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488187178
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187178
• Sonrisas canónicas: C1=CSC(=C2SC=CS2)S1
• IUPAC Name: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole
• InChIKey: FHCPAXDKURNIOZ-UHFFFAOYSA-N
• INCHI: 1S/C6H4S4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H
• Isómeros SMILES: C1=CSC(=C2SC=CS2)S1
• WGK Alemania: 3
• PubChem CID: 99451
• Número ONU: 3335
• Peso molecular: 204.36
• Beilstein: 1617956
• Reaxy-Rn: 1282106

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: Thioenol ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3-dithiole - Thioenolether - Hydrocarbon derivative - 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: organosulfur heterocyclic compound - fulvalenes

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: Light & Air sensitive
• Punto de fusión (°C): 117-120°C
• Peso molecular: 204.400 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 203.92 Da
• Monoisotopic Mass: 203.92 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 182.000
• 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

Referencias

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