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

CAS: 267-65-2 Cat. No.: B153038 Molecular Weight: 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

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197171
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197171
• Canonical Smiles: 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
• Isomeric SMILES: C1=CSC2=CC3=C(C=C21)SC=C3
• Molecular Weight: 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
    • Class Benzothiophenes
      • Subclass 1-benzothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 198 °C
• Molecular Weight: 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

References

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]