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4,7-dithiophen-2-yl-2,1,3-benzothiadiazole, >98.0%

Catalog Number
ACM165190761-1
CAS Number
165190-76-1
Product Name
4,7-dithiophen-2-yl-2,1,3-benzothiadiazole, >98.0%
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
4,7-dithiophen-2-yl-2,1,3-benzothiadiazole
Molecular Weight
300.4g/mol
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
Complexity
298
Covalently-Bonded Unit Count
1
Exact Mass
299.984962g/mol
Formal Charge
0
Heavy Atom Count
19
Monoisotopic Mass
299.984962g/mol
NSC Number
701994
Rotatable Bond Count
2
XLogP3
4.5
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