4H-Cyclopenta[1,2-b:5,4-b']dithiophen-4-one - CAS 25796-77-4
Catalog: |
BB019033 |
Product Name: |
4H-Cyclopenta[1,2-b:5,4-b']dithiophen-4-one |
CAS: |
25796-77-4 |
Synonyms: |
3,11-dithiatricyclo[6.3.0.0^{2,6}]undeca-1(8),2(6),4,9-tetraen-7-one; 3,11-dithiatricyclo[6.3.0.0^{2,6}]undeca-1(8),2(6),4,9-tetraen-7-one |
IUPAC Name: | 3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-one |
Description: | 4H-Cyclopenta[1,2-b:5,4-b']dithiophen-4-one (CAS# 25796-77-4) is a useful research chemical. |
Molecular Weight: | 192.25 |
Molecular Formula: | C9H4OS2 |
Canonical SMILES: | C1=CSC2=C1C(=O)C3=C2SC=C3 |
InChI: | InChI=1S/C9H4OS2/c10-7-5-1-3-11-8(5)9-6(7)2-4-12-9/h1-4H |
InChI Key: | HFIUHKXJUKKOIZ-UHFFFAOYSA-N |
Density: | 1.553 g/cm3 |
Appearance: | Yellow red to deep yellow red powder |
MDL: | MFCD16619150 |
LogP: | 3.02100 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110776619-A | Regular polymer containing quinoline-based condensed ring unit and preparation method and application thereof | 20180731 |
CN-110776620-A | D-pi-A polymer containing S, S-dioxo-dibenzothiophene derivative unit and preparation method and application thereof | 20180731 |
CN-110776621-A | D-pi-A type polymer containing quinoline-based fused ring unit and preparation method and application thereof | 20180731 |
CN-110655518-A | Quinoline-based fused ring unit, small molecule containing quinoline-based fused ring unit, polymer, preparation methods of quinoline-based fused ring unit and small molecule, and application of quinoline-based fused ring unit and polymer | 20180629 |
CN-110655637-A | Regular polymer containing pyridine heterocyclic unit, preparation method and application thereof | 20180629 |
PMID | Publication Date | Title | Journal |
20397679 | 20101118 | Electronic and optical properties of 4H-cyclopenta[2,1-b:3,4-b']bithiophene derivatives and their 4-heteroatom-substituted analogues: a joint theoretical and experimental comparison | The journal of physical chemistry. B |
21590980 | 20100512 | Very-low-bandgap metallopolyynes of platinum with a cyclopentadithiophenone ring for organic solar cells absorbing down to the near-infrared spectral region | Macromolecular rapid communications |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.97035709 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.97035709 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 73.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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