Molecular Weight of THIOPHENE (C4H4S)
Identification of THIOPHENE Chemical Compound
| Chemical Formula | C4H4S |
|---|---|
| Molecular Weight | 84.13956 g/mol |
| IUPAC Name | thiophene |
| SMILES String | c1ccsc1 |
| InChI | InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H |
| InChIKey | YTPLMLYBLZKORZ-UHFFFAOYSA-N |
Molecular Weight Description
The THIOPHENE molecule consists of 4 Hydrogen atom(s), 4 Carbon atom(s), and 1 Sulfur atom(s) - a total of 9 atom(s). The molecular weight of THIOPHENE is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 84.13956 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- CAS #: 64-17-5
- Formula: C2H5OH
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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 THIOPHENE Molecule
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Structure Data File (SDF/MOL File) of THIOPHENE
The structure data file (SDF/MOL File) of THIOPHENE is available for download in the SDF page of THIOPHENE, which provides the information on atoms, bonds, connectivity and coordinates of THIOPHENE. The THIOPHENE structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of THIOPHENE
The molecular structure image of THIOPHENE is available in chemical structure page of THIOPHENE, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in THIOPHENE and the chemical bonds that hold the atoms together.
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Chemical formula of THIOPHENE
The molecular formula of THIOPHENE is given in chemical formula page of THIOPHENE, 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 THIOPHENE
In addition to the molecular weight information, the structural information of THIOPHENE in a textual expression is available via InChi. The full standard InChI of THIOPHENE is given below:
InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
It can provide a way to encode the molecular information of THIOPHENE 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 THIOPHENE is:
InChIKey=YTPLMLYBLZKORZ-UHFFFAOYSA-N
It may allow easier web searches for THIOPHENE. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the THIOPHENE as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of THIOPHENE
There may be different names of the THIOPHENE compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- Thiotetrole
- Thiophene [UN2414] [Flammable liquid]
- Thiophen
- 8014-23-1
- 110-02-1
- 25233-34-5
- USAF EK-1860
- Thiole
- Thiofurfuran
- Thiofuran
- Thiofuram
- Thiofen [Czech]
- Thiaphene
- Thiacyclopentadiene
- Huile HSO
- Huile H50
- Furan, thio-
- Divinylene sulfide
- CP 34
- Thiophene, homopolymer
- Polythiophene
THIOPHENE Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of THIOPHENE? |
|---|
| C4H4S |
| How many atoms and what are the elements in the THIOPHENE molecule? |
| 9 atom(s) - 4 Hydrogen atom(s), 4 Carbon atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what types of bonds are in the THIOPHENE structure? |
| 9 bond(s) - 5 non-H bond(s), 5 multiple bond(s), 5 aromatic bond(s), 1 five-membered ring(s), and 1 Thiophene(s) |
| What’s the molar mass of THIOPHENE? |
| 84.13956 g/mol |
| What’s the SMILES format of THIOPHENE? |
| c1ccsc1 |
| What’s the InChI format of THIOPHENE? |
| InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H |
| What’s the InChIKey string of THIOPHENE? |
| YTPLMLYBLZKORZ-UHFFFAOYSA-N |
6413
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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).