Structure & Deep Data of Diethyl trithiocarbonate (C5H10S3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Diethyl trithiocarbonate molecule contains a total of 17 bond(s). There are 7 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), and 1 carbonate (-thio) derivative(s). Images of the chemical structure of Diethyl trithiocarbonate are given below:

The 2D chemical structure image of Diethyl trithiocarbonate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Diethyl trithiocarbonate are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Diethyl trithiocarbonate is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Diethyl trithiocarbonate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Diethyl trithiocarbonate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Diethyl trithiocarbonate

  The SMILES string of Diethyl trithiocarbonate is CCSC(=S)SCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Diethyl trithiocarbonate.

• Structure Data File (SDF/MOL File) of Diethyl trithiocarbonate

  The structure data file (SDF/MOL File) of Diethyl trithiocarbonate is available for download in the SDF page of Diethyl trithiocarbonate, which provides the information about the atoms, bonds, connectivity and coordinates of Diethyl trithiocarbonate. The Diethyl trithiocarbonate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Diethyl trithiocarbonate

  The molecular formula of Diethyl trithiocarbonate is available in chemical formula page of Diethyl trithiocarbonate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Diethyl trithiocarbonate

  The molecular weight of Diethyl trithiocarbonate is available in molecular weight page of Diethyl trithiocarbonate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Diethyl trithiocarbonate

  The Diethyl trithiocarbonate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Diethyl trithiocarbonate including the various registry numbers, if available:

  • Carbonotrithioic acid, diethyl ester (9CI)
  • Trithiocarbonic acid, diethyl ester
  • Carbonotrithioic acid,diethyl ester
  • Trithiocarbonic acid diethyl ester
  • bis(ethylsulfanyl)-methanethione
  • diethyltrithiocarbonate
  • CARBONIC ACID, TRITHIO-, DIETHYL ESTER
  • 2314-49-0
  • Carbonotrithioic acid, diethyl ester
  • Diethyl trithiocarbonate

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Diethyl trithiocarbonate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Diethyl trithiocarbonate?
C5H10S3
How many atoms and what are the elements included the Diethyl trithiocarbonate molecule?
18 atom(s) - 10 Hydrogen atom(s), 5 Carbon atom(s), and 3 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the Diethyl trithiocarbonate structure?
17 bond(s) - 7 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), and 1 carbonate (-thio) derivative(s)
What’s the Diethyl trithiocarbonate’s molecular weight?
166.3279 g/mol
What’s the SMILES code of Diethyl trithiocarbonate?
CCSC(=S)SCC
What’s the InChI string of Diethyl trithiocarbonate?
InChI=1S/C5H10S3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
What’s the InChIKey code of Diethyl trithiocarbonate?
NRQCYLXIKLRTQE-UHFFFAOYSA-N

48 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).