Benzo[1,2-b:3,4-b':5,6-b'']trithiophene-2,5,8-tricarbaldehyde - ≥95% , CAS No.2243590-42-1

CAS: 2243590-42-1 Cat. No.: B303113 Peso molecular: 330.40 Número EC: 882-538-3

GRADE & PURITY ≥95%

Synonyms

YSZC224 | 3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene-4,9,14-tricarbaldehyde | MFCD33022353

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

YSZC224 | 3, 8, 13-trithiatetracyclo[10.3.0.02, 6.07, 11]pentadeca-1(12), 2(6), 4, 7(11), 9, 14-hexaene-4, 9, 14-tricarbaldehyde | MFCD33022353

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504773587
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773587
• Sonrisas canónicas: C1=C(SC2=C1C3=C(C=C(S3)C=O)C4=C2C=C(S4)C=O)C=O
• IUPAC Name: 3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene-4,9,14-tricarbaldehyde
• InChIKey: VANOLPNZHSSDOC-UHFFFAOYSA-N
• INCHI: 1S/C15H6O3S3/c16-4-7-1-10-13(19-7)11-3-9(6-18)21-15(11)12-2-8(5-17)20-14(10)12/h1-6H
• Isómeros SMILES: C1=C(SC2=C1C3=C(C=C(S3)C=O)C4=C2C=C(S4)C=O)C=O
• Peso molecular: 330.40
• Reaxy-Rn: 33987523
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33987523&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiophenes
      • Subclass 1-benzothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiophenes
• Subclass: 1-benzothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzothiophenes
• Alternative Parents: Thiophene carboxylic acids and derivatives Aryl-aldehydes Benzenoids Heteroaromatic compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzothiophene - Thiophene carboxylic acid or derivatives - Aryl-aldehyde - Benzenoid - Heteroaromatic compound - Thiophene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
• 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: Light sensitive；Air sensitive
• Punto de ebullición (°C): 642.4±50.0 °C(Predicted)
• Peso molecular: 330.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 329.948 Da
• Monoisotopic Mass: 329.948 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 399.000
• 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