SDF/Mol File of N,N,N',N'-Tetramethyldithiooxamide (C6H12N2S2)
Identification of N,N,N',N'-Tetramethyldithiooxamide Chemical Compound
| Chemical Formula | C6H12N2S2 |
|---|---|
| Molecular Weight | 176.30288 g/mol |
| IUPAC Name | N,N,N',N'-tetramethylethanedithioamide |
| SMILES String | CN(C)C(=S)C(=S)N(C)C |
| InChI | InChI=1S/C6H12N2S2/c1-7(2)5(9)6(10)8(3)4/h1-4H3 |
| InChIKey | UTXPXIPWUGHKIQ-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of N,N,N',N'-Tetramethyldithiooxamide 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 N,N,N',N'-Tetramethyldithiooxamide 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.
chemical table area
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying N,N,N',N'-Tetramethyldithiooxamide Molecule
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Chemical structure of N,N,N',N'-Tetramethyldithiooxamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N,N,N',N'-Tetramethyldithiooxamide is available in chemical structure page of N,N,N',N'-Tetramethyldithiooxamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of N,N,N',N'-Tetramethyldithiooxamide
The molecular weight of N,N,N',N'-Tetramethyldithiooxamide is available in molecular weight page of N,N,N',N'-Tetramethyldithiooxamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of N,N,N',N'-Tetramethyldithiooxamide
The chemical formula of N,N,N',N'-Tetramethyldithiooxamide is given in chemical formula page of N,N,N',N'-Tetramethyldithiooxamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of N,N,N',N'-Tetramethyldithiooxamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N,N,N',N'-Tetramethyldithiooxamide is:
InChI=1S/C6H12N2S2/c1-7(2)5(9)6(10)8(3)4/h1-4H3
It can provide a standard way to encode the molecular information of N,N,N',N'-Tetramethyldithiooxamide 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 N,N,N',N'-Tetramethyldithiooxamide is:
InChIKey=UTXPXIPWUGHKIQ-UHFFFAOYSA-N
The InChIKey may allow easier web searches for N,N,N',N'-Tetramethyldithiooxamide, but it needs to be linked to the full InChI to get back to the original structure of the N,N,N',N'-Tetramethyldithiooxamide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of N,N,N',N'-Tetramethyldithiooxamide
The N,N,N',N'-Tetramethyldithiooxamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N,N,N',N'-Tetramethyldithiooxamide including the registry numbers are listed below, if available:
- ETHANEDITHIOAMIDE,N1,N1,N2,N2-TETRAMETHYL-
- N,N,N',N'-(Tetramethyl)thiooxalsaeurediamid
- N,N,N',N'-Tetramethyldithioxamide
- (CH3)2NC(=S)C(=S)N(CH3)2
- 35840-78-9
- N,N,N',N'-Tetramethyldithiooxamide
N,N,N',N'-Tetramethyldithiooxamide Identification Summary Frequently Asked Questions (FAQs)
| What’s the N,N,N',N'-Tetramethyldithiooxamide formula? |
|---|
| C6H12N2S2 |
| How many atoms and what elements are included in the N,N,N',N'-Tetramethyldithiooxamide molecule? |
| 22 atom(s) - 12 Hydrogen atom(s), 6 Carbon atom(s), 2 Nitrogen atom(s), and 2 Sulfur atom(s) |
| How many chemical bonds and what kind of bonds are in the N,N,N',N'-Tetramethyldithiooxamide structure? |
| 21 bond(s) - 9 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), and 2 double bond(s) |
| What’s the N,N,N',N'-Tetramethyldithiooxamide’s molar mass? |
| 176.30288 g/mol |
| What’s the SMILES structure of N,N,N',N'-Tetramethyldithiooxamide? |
| CN(C)C(=S)C(=S)N(C)C |
| What’s the InChI code of N,N,N',N'-Tetramethyldithiooxamide? |
| InChI=1S/C6H12N2S2/c1-7(2)5(9)6(10)8(3)4/h1-4H3 |
| What’s the InChIKey format of N,N,N',N'-Tetramethyldithiooxamide? |
| UTXPXIPWUGHKIQ-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).