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25796-77-4 | 4H-Cyclopenta[2,1-b:3,4-b']dithiophen-4-one
CAS No: 25796-77-4 Catalog No: AG0034NV MDL No:MFCD16619150
Product Description
Catalog Number:
AG0034NV
Chemical Name:
4H-Cyclopenta[2,1-b:3,4-b']dithiophen-4-one
CAS Number:
25796-77-4
Molecular Formula:
C9H4OS2
Molecular Weight:
192.2575
MDL Number:
MFCD16619150
IUPAC Name:
3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-one
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
SMILES:
O=C1c2ccsc2c2c1ccs2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.25g/mol
Monoisotopic Mass:
191.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| 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 20101118 |
| 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 20100512 |
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