Formula 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 Formula Description
The Dipropyl disulfide molecule contains a total of 22 atom(s). There are 14 Hydrogen atom(s), 6 Carbon atom(s), and 2 Sulfur atom(s). A chemical formula of Dipropyl disulfide can therefore be written as:
C6H14S2
The chemical formula of Dipropyl disulfide shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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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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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 providing the information about the atoms, bonds, connectivity and coordinates of Dipropyl disulfide, which is not completely available in the chemical formula representation. The Dipropyl disulfide structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Dipropyl disulfide
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 in the chemical formula of Dipropyl disulfide and the chemical bonds that hold the atoms together.
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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 specified in the chemical formula of Dipropyl disulfide.
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InChI (IUPAC International Chemical Identifier) information of Dipropyl disulfide
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information 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.
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Other names (synonyms) or registry numbers of Dipropyl disulfide
The Dipropyl disulfide compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Dipropyl disulfide including the registry numbers is given below, 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 they in the Dipropyl disulfide structure? |
22 atom(s) - 14 Hydrogen atom(s), 6 Carbon atom(s), and 2 Sulfur atom(s) |
How many chemical bonds and what are they in the Dipropyl disulfide structure? |
21 bond(s) - 7 non-H bond(s), 5 rotatable bond(s), and 1 disulfide(s) |
What’s the molecular weight of Dipropyl disulfide? |
150.30536 g/mol |
What’s the SMILES string of Dipropyl disulfide? |
CCCSSCCC |
What’s the InChI of Dipropyl disulfide? |
InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3 |
What’s the InChIKey of Dipropyl disulfide? |
ALVPFGSHPUPROW-UHFFFAOYSA-N |
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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).