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4H-Cyclopenta[2,1-B:3,4-B']Dithiophene

Catalog Number
ACM389582
CAS Number
389-58-2
Product Name
4H-Cyclopenta[2,1-B:3,4-B']Dithiophene
Structure
Category
Small Molecule Semiconductor Building Blocks; Organic Light-Emitting Diode (OLED) Materials; Other Materials; Semiconductor Blocks
Synonyms
3,4-Dithia-7H-Cyclopenta[A]Pentalene
IUPAC Name
3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
Molecular Weight
178.3g/mol
Molecular Formula
C9H6S2
Canonical SMILES
C1C2=C(C3=C1C=CS3)SC=C2
InChI
InChI=1S/C9H6S2/c1-3-10-8-6(1)5-7-2-4-11-9(7)8/h1-4H,5H2
InChI Key
UITASDKJJNYORO-UHFFFAOYSA-N
Melting Point
73-75°C(lit.)
Purity
98%
Appearance
Light Brown Crystalline Powder
Complexity
151
Covalently-Bonded Unit Count
1
Exact Mass
177.991093g/mol
Formal Charge
0
Heavy Atom Count
11
Monoisotopic Mass
177.991093g/mol
Rotatable Bond Count
0
XLogP3
3
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