4,4'-Di-n-hexyl-dithieno[3,2-b:2',3'-d]silole - ≥98%(HPLC) , CAS No.906372-08-5

CAS: 906372-08-5 Cat. No.: D290418

GRADE & PURITY ≥98%(HPLC)

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CCCCCC[Si]1(C2=C(C3=C1C=CS3)SC=C2)CCCCCC
• IUPAC Name: 7,7-dihexyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• InChIKey: OYMRXOLIWITNQN-UHFFFAOYSA-N
• INCHI: 1S/C20H30S2Si/c1-3-5-7-9-15-23(16-10-8-6-4-2)17-11-13-21-19(17)20-18(23)12-14-22-20/h11-14H,3-10,15-16H2,1-2H3
• Isómeros SMILES: CCCCCC[Si]1(C2=C(C3=C1C=CS3)SC=C2)CCCCCC
• Reaxy-Rn: 10471716
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10471716&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Clase Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Clase: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylarylsilanes
• Alternative Parents: Thiophenes Heteroaromatic compounds Organic metalloid salts Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkylarylsilane - Heteroaromatic compound - Thiophene - Organic metalloid salt - Organoheterocyclic compound - Hydrocarbon derivative - Alkylsilane - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl).
• 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: 362.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 362.156 Da
• Monoisotopic Mass: 362.156 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 326.000
• 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

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