Benzo[1,2-b:4,5-b']dithiophene - ≥98% , CAS No.267-65-2

CAS: 267-65-2 Cat. No.: B153038 Peso molecular: 190.28 Beilstein Registry Number: 19(5)2,7

GRADE & PURITY ≥98%

Synonyms

AMY27151 | thieno[2,3-f][1]benzothiole | Benzo[1,2-b:4,5-b?]dithiophene | URMVZUQDPPDABD-UHFFFAOYSA-N | AKOS015856675 | AS-60196 | Benzo[1,2-b:4,5-b inverted exclamation mark ]dithiophene | thieno[2,3-f][1]benzothiole, >98.0%(GC) | B3464 | 4,10-dithiatric

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AMY27151 | thieno[2, 3-f][1]benzothiole | Benzo[1, 2-b:4, 5-b?]dithiophene | URMVZUQDPPDABD-UHFFFAOYSA-N | AKOS015856675 | AS-60196 | Benzo[1, 2-b:4, 5-b inverted exclamation mark ]dithiophene | thieno[2, 3-f][1]benzothiole, >98.0%(GC) | B3464 | 4, 10-dithiatric

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488197171
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197171
• Sonrisas canónicas: C1=CSC2=CC3=C(C=C21)SC=C3
• IUPAC Name: thieno[2,3-f][1]benzothiole
• InChIKey: URMVZUQDPPDABD-UHFFFAOYSA-N
• INCHI: 1S/C10H6S2/c1-3-11-9-6-8-2-4-12-10(8)5-7(1)9/h1-6H
• Isómeros SMILES: C1=CSC2=CC3=C(C=C21)SC=C3
• Peso molecular: 190.28
• Beilstein: 19(5)2,7
• Reaxy-Rn: 5228
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5228&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: Benzenoids Thiophenes Heteroaromatic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzothiophene - Benzenoid - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - 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

• Punto de fusión (°C): 198 °C
• Peso molecular: 190.300 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 189.991 Da
• Monoisotopic Mass: 189.991 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 161.000
• 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

1. Ganlin Liu, Xiangyu Zhang, Bohan Wang, Xinyu Wang, Haichao Liu, Cheng Zhou, Bing Yang, Liang Yao, Yuguang Ma.  (2025)  Conductivity of Electropolymerized Thiophene Films: Effect of Fused-Ring Thiophenes as the Monomer.  ACS Applied Materials & Interfaces,      [PMID:40258198] [10.1021/acsami.5c01664]