Structure & Deep Data of Methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate (C11H14O3S2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate molecule contains a total of 30 bond(s). There are 16 non-H bond(s), 7 multiple bond(s), 7 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 1 ether(s) (aromatic), and 1 disulfide(s). Images of the chemical structure of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate are given below:

The 2D chemical structure image of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate 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 methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate 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 methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate

  The SMILES string of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate is COC(=O)CSSCc1ccc(OC)cc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate.

• Structure Data File (SDF/MOL File) of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate

  The structure data file (SDF/MOL File) of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate is available for download in the SDF page of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate, which provides the information about the atoms, bonds, connectivity and coordinates of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate. The methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate

  The molecular formula of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate is available in chemical formula page of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate

  The molecular weight of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate is available in molecular weight page of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate, 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 methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate

  The methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate including the various registry numbers, if available:

  
  
  None available.

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Methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate?
C11H14O3S2
How many atoms and what are the elements included the methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate molecule?
30 atom(s) - 14 Hydrogen atom(s), 11 Carbon atom(s), 3 Oxygen atom(s), and 2 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate structure?
30 bond(s) - 16 non-H bond(s), 7 multiple bond(s), 7 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 1 ether(s) (aromatic), and 1 disulfide(s)
What’s the methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate’s molecular weight?
258.35706 g/mol
What’s the SMILES code of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate?
COC(=O)CSSCc1ccc(OC)cc1
What’s the InChI string of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate?
InChI=1S/C11H14O3S2/c1-13-10-5-3-9(4-6-10)7-15-16-8-11(12)14-2/h3-6H,7-8H2,1-2H3
What’s the InChIKey code of methyl 2-{[(4-methoxyphenyl)methyl]disulfanyl}acetate?
OIEUFYGXBPSDLB-UHFFFAOYSA-N

21 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).