4,7-Di(2-thienyl)-2,1,3-benzothiadiazole - CAS 165190-76-1
Catalog: |
BB012172 |
Product Name: |
4,7-Di(2-thienyl)-2,1,3-benzothiadiazole |
CAS: |
165190-76-1 |
Synonyms: |
4,7-dithiophen-2-yl-2,1,3-benzothiadiazole; 4,7-dithiophen-2-yl-2,1,3-benzothiadiazole |
IUPAC Name: | 4,7-dithiophen-2-yl-2,1,3-benzothiadiazole |
Description: | 4,7-Di(2-thienyl)-2,1,3-benzothiadiazole (CAS# 165190-76-1) is a useful research chemical. |
Molecular Weight: | 300.42 |
Molecular Formula: | C14H8N2S3 |
Canonical SMILES: | C1=CSC(=C1)C2=CC=C(C3=NSN=C23)C4=CC=CS4 |
InChI: | InChI=1S/C14H8N2S3/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14/h1-8H |
InChI Key: | XGERJWSXTKVPSV-UHFFFAOYSA-N |
Melting Point: | 124 °C |
Purity: | > 98.0 % (HPLC) (N) |
Appearance: | Orange to red powder to crystal |
Storage: | Store under inert gas |
MDL: | MFCD18252231 |
LogP: | 5.14830 |
Precautionary Statement: | P261-P305+P351+P338 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21526865 | 20110526 | Rational design of organic asymmetric donors D1-A-D2 possessing broad absorption regions and suitable frontier molecular orbitals to match typical acceptors toward solar cells | The journal of physical chemistry. A |
20536199 | 20100708 | Optimizing simultaneous two-photon absorption and transient triplet-triplet absorption in platinum acetylide chromophores | The journal of physical chemistry. A |
20102195 | 20100421 | Ladder-type oligo-p-phenylene-containing copolymers with high open-circuit voltages and ambient photovoltaic activity | Journal of the American Chemical Society |
19449356 | 20090824 | Exciton diffusion in polyfluorene copolymer thin films: kinetics, energy disorder and thermally assisted hopping | Chemphyschem : a European journal of chemical physics and physical chemistry |
17500553 | 20070607 | Comparative study on polymer light-emitting devices based on blends of polyfluorene and 4,7-di-2-thienyl-2,1,3-benzothiadiazole with devices based on copolymer of the same composition | The journal of physical chemistry. B |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.98496178 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.98496178 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 111 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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