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4H-Cyclopenta[2,1-b:3,4-b']dithiophen-4-one

Catalog Number
ACM25796774-1
CAS Number
25796-77-4
Product Name
4H-Cyclopenta[2,1-b:3,4-b']dithiophen-4-one
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-one
Molecular Weight
192.3g/mol
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
Complexity
207
Covalently-Bonded Unit Count
1
Exact Mass
191.970357g/mol
Formal Charge
0
Heavy Atom Count
12
Monoisotopic Mass
191.970357g/mol
Rotatable Bond Count
0
XLogP3
2.5
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