4,4'-(Benzo[c][1,2,5]thiadiazole-4,7-diylbis(ethyne-2,1-diyl))dibenzaldehyde

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Product Information

Molecular Formula:
C24H12N2O2S
Molecular Weight:
392.43
Synonyms
4,4'-(Benzo[c][1,2,5]thiadiazole-4,7-diylbis(ethyne-2,1-diyl))dibenzaldehyde; 4,7-Bis(4-formylphenylethynyl)benzo[c][1,2,5]thiadiazole; 4-[2-[4-[2-(4-formylphenyl)ethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]benzaldehyde; 4,4'-(2,1,3-Benzothiadiazole-4,7-diylbisethynylene)bisbenzaldehyde; Benzaldehyde, 4,?4'-?(2,?1,?3-?benzothiadiazole-?4,?7-?diyldi-?2,?1-?ethynediyl)?bis-
IUPAC Name
4-[2-[4-[2-(4-formylphenyl)ethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]benzaldehyde
Canonical SMILES
C1=CC(=CC=C1C=O)C#CC2=CC=C(C3=NSN=C23)C#CC4=CC=C(C=C4)C=O
InChI
InChI=1S/C24H12N2O2S/c27-15-19-5-1-17(2-6-19)9-11-21-13-14-22(24-23(21)25-29-26-24)12-10-18-3-7-20(16-28)8-4-18/h1-8,13-16H
InChI Key
FUABZJFXIVNTSB-UHFFFAOYSA-N
Purity
98%

Safety Information

Hazards
H302-H315-H319-H335
Precautionary Statement
P261-P280-P301+P312-P302+P352-P305+P351+P338
GHS Pictogram
GHS07
Signal Word
Warning

Computed Properties

XLogP3
4.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
6
Exact Mass
392.0619488
Monoisotopic Mass
392.0619488
Topological Polar Surface Area
88.2
Heavy Atom Count
29
Formal Charge
0
Complexity
663
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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