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Atomfair ITIC-Th ITIC-Th C86H74N4O2S8 CAS 1889344-13-1

ITIC-Th (CAS: 1889344-13-1) is a high-performance non-fullerene acceptor (NFA) material widely utilized in organic photovoltaic (OPV) applications. With the molecular formula C86H74N4O2S8, ITIC-Th features a complex fused-ring electron acceptor (FREA) structure designed for optimal light absorption and charge transport properties. This compound exhibits excellent solubility in common organic solvents, facilitating solution-processed fabrication of bulk heterojunction (BHJ) solar cells. ITIC-Th demonstrates broad absorption in the visible to near-infrared (NIR) spectrum, high electron mobility, and superior thermal stability, making it ideal for researchers developing next-generation organic solar cells with enhanced power conversion efficiencies (PCE). Our ITIC-Th is synthesized with >98% purity (HPLC)…

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Description

ITIC-Th (CAS: 1889344-13-1) is a high-performance non-fullerene acceptor (NFA) material widely utilized in organic photovoltaic (OPV) applications. With the molecular formula C86H74N4O2S8, ITIC-Th features a complex fused-ring electron acceptor (FREA) structure designed for optimal light absorption and charge transport properties. This compound exhibits excellent solubility in common organic solvents, facilitating solution-processed fabrication of bulk heterojunction (BHJ) solar cells. ITIC-Th demonstrates broad absorption in the visible to near-infrared (NIR) spectrum, high electron mobility, and superior thermal stability, making it ideal for researchers developing next-generation organic solar cells with enhanced power conversion efficiencies (PCE).

Our ITIC-Th is synthesized with >98% purity (HPLC) and rigorously characterized via 1H NMR, mass spectrometry, and elemental analysis to ensure batch-to-batch consistency. Supplied as a dark crystalline powder under inert atmosphere packaging to prevent degradation. Suitable for use in spin-coating, blade-coating, and slot-die coating processes.

Properties

  • CAS Number: 1889344-13-1
  • Complexity: 3020
  • IUPAC Name: 2-[(2Z)-2-[[20-[(Z)-[1-(dicyanomethylene)-3-oxo-indan-2-ylidene]methyl]-12,12,24,24-tetrakis(5-hexyl-2-thienyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl]methylene]-3-oxo-indan-1-ylidene]propanedinitrile
  • InChI: InChI=1S/C86H74N4O2S8/c1-5-9-13-17-25-53-33-37-71(93-53)85(72-38-34-54(94-72)26-18-14-10-6-2)67-45-64-68(46-63(67)81-77(85)83-69(99-81)43-57(97-83)41-65-75(51(47-87)48-88)59-29-21-23-31-61(59)79(65)91)86(73-39-35-55(95-73)27-19-15-11-7-3,74-40-36-56(96-74)28-20-16-12-8-4)78-82(64)100-70-44-58(98-84(70)78)42-66-76(52(49-89)50-90)60-30-22-24-32-62(60)80(66)92/h21-24,29-46H,5-20,25-28H2,1-4H3/b65-41-,66-42-
  • InChI Key: IBMVRGMZLQWAJY-SLZAGEDMSA-N
  • Exact Mass: 1450.3577470
  • Molecular Formula: C86H74N4O2S8
  • Molecular Weight: 1452.1
  • SMILES: CCCCCCC1=CC=C(S1)C2(C3=CC4=C(C=C3C5=C2C6=C(S5)C=C(S6)/C=C7/C(=C(C#N)C#N)C8=CC=CC=C8C7=O)C(C9=C4SC1=C9SC(=C1)/C=C1/C(=C(C#N)C#N)C2=CC=CC=C2C1=O)(C1=CC=C(S1)CCCCCC)C1=CC=C(S1)CCCCCC)C1=CC=C(S1)CCCCCC
  • Topological: 355
  • Monoisotopic Mass: 1450.3577470
  • Synonyms: ITIC-Th, 1889344-13-1, 2-[(2Z)-2-[[20-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-12,12,24,24-tetrakis(5-hexylthiophen-2-yl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile

Application

ITIC-Th is primarily employed as an electron acceptor material in organic photovoltaics, particularly in tandem with donor polymers like PBDB-T to create high-efficiency BHJ solar cells. Its extended ฯ€-conjugation system enables exceptional light-harvesting capabilities, while the hexylthiophene side chains enhance molecular packing and charge transport. Researchers utilize ITIC-Th to study structure-property relationships in non-fullerene acceptors and to develop flexible, lightweight solar devices with PCEs exceeding 12%. The material’s compatibility with roll-to-roll processing makes it attractive for industrial-scale OPV production.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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Certain molecules may be protected by active patents or regulatory restrictions.

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