4,4'-(Cyclopent-1-ene-1,2-diyl)bis(5-methylthiophene-2-carbaldehydE)

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Product Information

Molecular Formula:
C17H16O2S2
Molecular Weight:
316.44
Synonyms
1,2-Bis(2-methyl-5-formyl-3-thienyl)-1-cyclopentene; 2-Thiophenecarboxaldehyde,4,4'-(1-cyclopentene-1,2-diyl)bis[5-methyl-; 4,4-(cyclopent-1-ene-1,2-diyl)bis(5-methylthiophene-2-carbaldehyde); 4-[2-(5-formyl-2-methylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophene-2-carbaldehyde
IUPAC Name
4-[2-(5-formyl-2-methylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophene-2-carbaldehyde
Canonical SMILES
CC1=C(C=C(S1)C=O)C2=C(CCC2)C3=C(SC(=C3)C=O)C
InChI
InChI=1S/C17H16O2S2/c1-10-16(6-12(8-18)20-10)14-4-3-5-15(14)17-7-13(9-19)21-11(17)2/h6-9H,3-5H2,1-2H3
InChI Key
KNJCDIPBYVYSCY-UHFFFAOYSA-N
Purity
97%
Solubility
Moderately soluble

Safety Information

Hazards
H302-H315-H319-H335
Precautionary Statement
P261-P305+P351+P338
GHS Pictogram
GHS07
Signal Word
Warning

Computed Properties

XLogP3
4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
316.0591721
Monoisotopic Mass
316.0591721
Topological Polar Surface Area
90.6
Heavy Atom Count
21
Formal Charge
0
Complexity
420
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

Patents

Publication Number Title Priority Date
WO-2020001494-A1 Diarylethene compound and preparation and use thereof 2018-06-29
US-2005272677-A1 Delivery of a substance to a pre-determined site 2002-04-04
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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