Naphtho[1,2-b:5,6-b′]dithiophene - ≥97% , CAS No.217-19-6

CAS: 217-19-6 Cat. No.: N432322 EC Number: 803-303-3

GRADE & PURITY ≥97%

Synonyms

Naphtho[1,2-b:5,6-b']dithiophene, 97% | MOZTVOICZIVCFC-UHFFFAOYSA-N | MFCD28053549 | naphtho[1,2-b:5,6-b]dithiophene | naphtho[1,2-b:5,6-b']dithiophene | [1]benzothiolo[7,6-g][1]benzothiole | AS-48299 | AKOS027337814 | SCHEMBL2368459 | F30221

Storage

Room temperature

Overview

General Description

Naphtho[1,2- b :5,6- b ′]dithiophene (NDT) is a π-conjugated naphthodithiophene derivative that has symmetrical planar structures. It is mainly utilized in the development of semiconductors due to its high charge mobility and high current on/off ratios.

Application

This semiconducting material has been used in the synthesis of copolymers that show the highest mobility (>0.5 cm2 /Vs) in an NDT-based OFET device to date. NDT has donor-acceptor copolymers which can be used in the fabrication of organic electronic devices such as organic light emitting diodes (OLEDs), organic solar cells (OSCs) and organic field effect transistors (OFETs).

Specifications

Synonyms

Naphtho[1, 2-b:5, 6-b']dithiophene, 97% | MOZTVOICZIVCFC-UHFFFAOYSA-N | MFCD28053549 | naphtho[1, 2-b:5, 6-b]dithiophene | naphtho[1, 2-b:5, 6-b']dithiophene | [1]benzothiolo[7, 6-g][1]benzothiole | AS-48299 | AKOS027337814 | SCHEMBL2368459 | F30221

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=CC3=C2SC=C3)C4=C1C=CS4
• IUPAC Name: [1]benzothiolo[7,6-g][1]benzothiole
• InChIKey: MOZTVOICZIVCFC-UHFFFAOYSA-N
• INCHI: 1S/C14H8S2/c1-3-11-12(13-9(1)5-7-15-13)4-2-10-6-8-16-14(10)11/h1-8H
• Isomeric SMILES: C1=CC2=C(C=CC3=C2SC=C3)C4=C1C=CS4
• Reaxy-Rn: 20154173
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20154173&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthothiophenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthothiophenes
• Alternative Parents: 1-benzothiophenes Thiophenes Heteroaromatic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthothiophene - 1-benzothiophene - Benzothiophene - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthothiophenes. These are compounds containing a naphthalene (or a derivative) fused to thiophene.
• 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

• Molecular Weight: 240.300 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 240.007 Da
• Monoisotopic Mass: 240.007 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 250.000
• 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