Ethyl 2-[(Ethoxycarbonothioyl)thio]propionate

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Product Information

Molecular Formula:
C8H14O3S2
Molecular Weight:
222.32
Description
Ethyl 2-[(Ethoxycarbonothioyl)thio]propionate is a multifunctional biomedical compound that demonstrates immense potential in combatting a wide array of diseases. Revolutionary in its structure, this compound holds promise for the development of novel antimicrobial agents that can effectively tackle bacterial and fungal infections. Its distinctive chemical composition endows it with remarkable inhibitory effects against targeted pathogens.
Synonyms
2-[(Ethoxycarbonothioyl)thio]propionic Acid Ethyl Ester||||Ethyl 2-[(ethoxycarbonothioyl)thio]propanoate||||2-[(Ethoxycarbonothioyl)thio]propanoic Acid Ethyl Ester
IUPAC Name
ethyl 2-ethoxycarbothioylsulfanylpropanoate
Canonical SMILES
CCOC(=O)C(C)SC(=S)OCC
InChI
InChI=1S/C8H14O3S2/c1-4-10-7(9)6(3)13-8(12)11-5-2/h6H,4-5H2,1-3H3
InChI Key
GZRNLTZJAIIDLJ-UHFFFAOYSA-N
Flash Point
126 °C
Purity
>95.0%(GC)
Density
1.13
Appearance
White to Yellow to Green clear liquid
Storage
0-10°C

Computed Properties

XLogP3
2.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
7
Exact Mass
222.03843665 g/mol
Monoisotopic Mass
222.03843665 g/mol
Topological Polar Surface Area
92.9Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
182
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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