Benzo[1,2-b:4,5-b']dithiophene-4,8-dione - CAS 32281-36-0
Catalog: |
BB021245 |
Product Name: |
Benzo[1,2-b:4,5-b']dithiophene-4,8-dione |
CAS: |
32281-36-0 |
Synonyms: |
thieno[2,3-f][1]benzothiole-4,8-dione; thieno[2,3-f][1]benzothiole-4,8-dione |
IUPAC Name: | thieno[2,3-f][1]benzothiole-4,8-dione |
Description: | Benzo[1,2-b:4,5-b']dithiophene-4,8-dione (CAS# 32281-36-0) is used in the research of organic photovoltaic cells (solar cells), and studies are being done to make them more efficient with modifiers such as alkylthiolation or fluorination. |
Molecular Weight: | 220.27 |
Molecular Formula: | C10H4O2S2 |
Canonical SMILES: | C1=CSC2=C1C(=O)C3=C(C2=O)C=CS3 |
InChI: | InChI=1S/C10H4O2S2/c11-7-5-1-3-13-9(5)8(12)6-2-4-14-10(6)7/h1-4H |
InChI Key: | SIUXRPJYVQQBAF-UHFFFAOYSA-N |
Boiling Point: | 408 °C / 760 mmHg |
Melting Point: | 260-265 °C |
Purity: | 97 % |
Density: | 1.595 g/mL at 25 °C |
Storage: | Keep in dark place. Sealed in dry. Room temperature. |
MDL: | MFCD01927240 |
LogP: | 2.58500 |
Precautionary Statement: | P261-P280-P305P351P338 |
Publication Number | Title | Priority Date |
CN-112599789-A | Double-cathode structure and lithium-oxygen battery manufactured by using same | 20210114 |
CN-111606921-A | Compound based on benzo [1,2-b:4,5-b' ] dithiophene and preparation method thereof | 20200618 |
KR-102296211-B1 | Crosslinkable photoactive compound composition, thermally stable organic photovoltaic cells comprising same and method of fabricating same | 20200130 |
KR-20210097309-A | Crosslinkable photoactive compound composition, thermally stable organic photovoltaic cells comprising same and method of fabricating same | 20200130 |
KR-102218763-B1 | Composition comprising fluorinated naphthalene diimide derivative compound, organic solar cell comprising same and method of preparing same | 20190808 |
PMID | Publication Date | Title | Journal |
22590310 | 20120501 | Benzo[1,2-b:4,5-b']dithio-phene-4,8-dione | Acta crystallographica. Section E, Structure reports online |
20397645 | 20100501 | Novel semiconducting quinone for air-stable n-type organic field-effect transistors | ACS applied materials & interfaces |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.96527171 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.96527171 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 90.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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