Home SDF/Mol File Dipropyl disulfide

SDF/Mol File of Dipropyl disulfide (C6H14S2)

Identification of Dipropyl disulfide Chemical Compound

2D chemical structure image of Dipropyl disulfide
Chemical Formula C6H14S2
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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of Dipropyl disulfide is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Dipropyl disulfide molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

Ball-and-stick model of Dipropyl disulfide
Ball-and-stick model of Dipropyl disulfide

Additional Information for Identifying Dipropyl disulfide Molecule

  • Chemical structure of Dipropyl disulfide

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

  • 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 masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of Dipropyl disulfide

    The chemical formula of Dipropyl disulfide is given 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.

  • InChI (IUPAC International Chemical Identifier) information of Dipropyl disulfide

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

    InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3

    It can provide a standard way to encode the molecular information of Dipropyl disulfide 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 Dipropyl disulfide is:

    InChIKey=ALVPFGSHPUPROW-UHFFFAOYSA-N

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

  • Other names (synonyms) or registry numbers of Dipropyl disulfide

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

    • Dipropyl disulfide
    • Propyl disulfide
    • 629-19-6
    • Disulfide, dipropyl
    • Di-n-propyl disulfide
    • n-Propyl disulfide
    • 4,5-DITHIAOCTANE
    • Dipropyl disulphide
    • 1-(Propyldisulfanyl)propane
    • Propyldithiopropane
    • Di-n-propyldisulfide
    • 1,1'-dithiodipropane
    • FEMA No. 3228
    • MFCD00009378
    • ONION OIL
    • propyldisulfide
    • Onion oleoresin
    • n-propyldisulfide
    • Onions, oil
    • Oil, onion
    • Dipropyl persulfide
    • SSP-SSP
    • 1-propyldisulfanylpropane
    • Propyl disulfide (8CI)
    • 1-propyldisulfanyl-propane
    • Dipropyl disulfide, 98%
    • Onion oil (Allium cepa L.)
    • FEMA No. 2817
    • (n-C3H7S)2
    • Propyl disulfide, >=97%, FG
    • I7K169J70F
    • 7570AF
    • ANW-34449
    • ONION, OIL (ALLIUM CEPA L.)
    • CAS-629-19-6
    • D0932
    • A834090
    • C-24716
    • I09-0125

Dipropyl disulfide Identification Summary Frequently Asked Questions (FAQs)

What’s the Dipropyl disulfide formula?
C6H14S2
How many atoms and what elements are included in 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 in 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 molar mass?
150.30536 g/mol
What’s the SMILES structure of Dipropyl disulfide?
CCCSSCCC
What’s the InChI code of Dipropyl disulfide?
InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
What’s the InChIKey format of Dipropyl disulfide?
ALVPFGSHPUPROW-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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