Structure & Deep Data of Dipropyl disulfide (C6H14S2)
Identification of Dipropyl disulfide Chemical Compound
Chemical Formula | C6H14S2 |
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Molecular Weight | 150.30536 g/mol |
IUPAC Name | 1-(propyldisulfanyl)propane |
SMILES String | CCCSSCCC |
InChI | InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3 |
InChIKey | ALVPFGSHPUPROW-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Dipropyl disulfide molecule contains a total of 21 bond(s). There are 7 non-H bond(s), 5 rotatable bond(s), and 1 disulfide(s). Images of the chemical structure of Dipropyl disulfide are given below:
The 2D chemical structure image of Dipropyl disulfide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Dipropyl disulfide 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 Dipropyl disulfide 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 Dipropyl disulfide. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Dipropyl disulfide is provided here.
The Dipropyl disulfide molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Dipropyl disulfide molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Dipropyl disulfide can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Dipropyl disulfide Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Dipropyl disulfide
The SMILES string of Dipropyl disulfide is CCCSSCCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Dipropyl disulfide.
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Structure Data File (SDF/MOL File) of Dipropyl disulfide
The structure data file (SDF/MOL File) of Dipropyl disulfide is available for download in the SDF page of Dipropyl disulfide, which provides the information about the atoms, bonds, connectivity and coordinates of Dipropyl disulfide. The Dipropyl disulfide structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Dipropyl disulfide
The molecular formula of Dipropyl disulfide is available in chemical formula page of Dipropyl disulfide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of Dipropyl disulfide
The molecular weight of Dipropyl disulfide is available in molecular weight page of Dipropyl disulfide, 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.
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Other names (synonyms) or registry numbers of Dipropyl disulfide
The Dipropyl disulfide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Dipropyl disulfide including the various registry numbers, if available:
- I09-0125
- C-24716
- A834090
- D0932
- CAS-629-19-6
- ONION, OIL (ALLIUM CEPA L.)
- ANW-34449
- 7570AF
- I7K169J70F
- Propyl disulfide, >=97%, FG
- (n-C3H7S)2
- FEMA No. 2817
- Onion oil (Allium cepa L.)
- Dipropyl disulfide, 98%
- 1-propyldisulfanyl-propane
- Propyl disulfide (8CI)
- 1-propyldisulfanylpropane
- SSP-SSP
- Dipropyl persulfide
- Oil, onion
- Onions, oil
- n-propyldisulfide
- Onion oleoresin
- propyldisulfide
- ONION OIL
- MFCD00009378
- FEMA No. 3228
- 1,1'-dithiodipropane
- Di-n-propyldisulfide
- Propyldithiopropane
- Dipropyl disulphide
- 4,5-DITHIAOCTANE
- n-Propyl disulfide
- Di-n-propyl disulfide
- Disulfide, dipropyl
- 629-19-6
- Propyl disulfide
- Dipropyl disulfide
Dipropyl disulfide Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Dipropyl disulfide? |
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C6H14S2 |
How many atoms and what are the elements included the Dipropyl disulfide molecule? |
22 atom(s) - 14 Hydrogen atom(s), 6 Carbon atom(s), and 2 Sulfur atom(s) |
How many chemical bonds and what kind of bonds are included the Dipropyl disulfide structure? |
21 bond(s) - 7 non-H bond(s), 5 rotatable bond(s), and 1 disulfide(s) |
What’s the Dipropyl disulfide’s molecular weight? |
150.30536 g/mol |
What’s the SMILES code of Dipropyl disulfide? |
CCCSSCCC |
What’s the InChI string of Dipropyl disulfide? |
InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3 |
What’s the InChIKey code of Dipropyl disulfide? |
ALVPFGSHPUPROW-UHFFFAOYSA-N |
607
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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).