Structure & Deep Data of S-Ethyl ethanethioate (C4H8OS)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The S-Ethyl ethanethioate molecule contains a total of 13 bond(s). There are 5 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), and 1 thioester(s) (aliphatic). Images of the chemical structure of S-Ethyl ethanethioate are given below:

The 2D chemical structure image of S-Ethyl ethanethioate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of S-Ethyl ethanethioate 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 S-Ethyl ethanethioate 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 S-Ethyl ethanethioate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying S-Ethyl ethanethioate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of S-Ethyl ethanethioate

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

• Structure Data File (SDF/MOL File) of S-Ethyl ethanethioate

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

• Chemical formula of S-Ethyl ethanethioate

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

• Molecular weight of S-Ethyl ethanethioate

  The molecular weight of S-Ethyl ethanethioate is available in molecular weight page of S-Ethyl ethanethioate, 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 S-Ethyl ethanethioate

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

  • 3B1-006452
  • E0708
  • RTR-021514
  • 6E715F929W
  • MFCD00015178
  • ANW-34265
  • 7268AF
  • Ethanethioic acid,S-ethyl ester
  • Ethyl thioacetate, >=98%
  • CH3COSC2H5

  • FEMA No. 3282
  • 59094-77-8
  • Acetic acid, thio-, ethyl ester
  • 1-ethylsulfanylethanone
  • Acetic acid, thio-, S-ethyl ester
  • Ethanethioic acid S-ethyl ester
  • S-Ethyl thiolacetate
  • Ethyl ethanethioate
  • Ethyl thiolacetate
  • Ethanethioic acid, ethyl ester

  • ETHANETHIOIC ACID, S-ETHYL ESTER
  • 625-60-5
  • S-Ethyl thioacetate
  • S-Ethyl ethanethioate

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S-Ethyl ethanethioate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of S-Ethyl ethanethioate?
C4H8OS
How many atoms and what are the elements included the S-Ethyl ethanethioate molecule?
14 atom(s) - 8 Hydrogen atom(s), 4 Carbon atom(s), 1 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the S-Ethyl ethanethioate structure?
13 bond(s) - 5 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), and 1 thioester(s) (aliphatic)
What’s the S-Ethyl ethanethioate’s molecular weight?
104.17072 g/mol
What’s the SMILES code of S-Ethyl ethanethioate?
CCSC(C)=O
What’s the InChI string of S-Ethyl ethanethioate?
InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3
What’s the InChIKey code of S-Ethyl ethanethioate?
APTGPWJUOYMUCE-UHFFFAOYSA-N

223 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).