SDF/Mol File of PETG (C14H20O5S)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying PETG Molecule

• Chemical structure of PETG

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of PETG is available in chemical structure page of PETG, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of PETG

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

• Chemical formula of PETG

  The chemical formula of PETG is given in chemical formula page of PETG, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of PETG

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of PETG is:

  InChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14-/m1/s1

  It can provide a standard way to encode the molecular information of PETG to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of PETG is:

  InChIKey=ZNAMMSOYKPMPGC-MBJXGIAVSA-N

  The InChIKey may allow easier web searches for PETG, but it needs to be linked to the full InChI to get back to the original structure of the PETG since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of PETG

  The PETG compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of PETG including the registry numbers are listed below, if available:

  • 2-phenylethyl beta-D-thiogalactopyranoside
  • phenylethyl beta-d-thiogalactoside
  • PETG

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PETG Identification Summary Frequently Asked Questions (FAQs)

What’s the PETG formula?
C14H20O5S
How many atoms and what elements are included in the PETG molecule?
40 atom(s) - 20 Hydrogen atom(s), 14 Carbon atom(s), 5 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are in the PETG structure?
41 bond(s) - 21 non-H bond(s), 6 multiple bond(s), 5 rotatable bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 4 hydroxyl group(s), 1 primary alcohol(s), 3 secondary alcohol(s), 1 ether(s) (aliphatic), and 1 sulfide(s)
What’s the PETG’s molar mass?
300.3706 g/mol
What’s the SMILES structure of PETG?
OCC2OC(SCCc1ccccc1)C(O)C(O)C2O
What’s the InChI code of PETG?
InChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14-/m1/s1
What’s the InChIKey format of PETG?
ZNAMMSOYKPMPGC-MBJXGIAVSA-N

750 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).