SDF/Mol File of (1R)-1-cyclopropylethane-1-thiol (C5H10S)
Identification of (1R)-1-cyclopropylethane-1-thiol Chemical Compound
| Chemical Formula | C5H10S |
|---|---|
| Molecular Weight | 102.1979 g/mol |
| IUPAC Name | (1R)-1-cyclopropylethane-1-thiol |
| SMILES String | CC(S)C1CC1 |
| InChI | InChI=1S/C5H10S/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1 |
| InChIKey | QDAOVNWANSCYGD-SCSAIBSYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of (1R)-1-cyclopropylethane-1-thiol 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 (1R)-1-cyclopropylethane-1-thiol 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.
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Additional Information for Identifying (1R)-1-cyclopropylethane-1-thiol Molecule
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Chemical structure of (1R)-1-cyclopropylethane-1-thiol
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (1R)-1-cyclopropylethane-1-thiol is available in chemical structure page of (1R)-1-cyclopropylethane-1-thiol, 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 (1R)-1-cyclopropylethane-1-thiol
The molecular weight of (1R)-1-cyclopropylethane-1-thiol is available in molecular weight page of (1R)-1-cyclopropylethane-1-thiol, 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 (1R)-1-cyclopropylethane-1-thiol
The chemical formula of (1R)-1-cyclopropylethane-1-thiol is given in chemical formula page of (1R)-1-cyclopropylethane-1-thiol, 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 (1R)-1-cyclopropylethane-1-thiol
An alternative way of expressing structural information in text format is InChI. The full standard InChI of (1R)-1-cyclopropylethane-1-thiol is:
InChI=1S/C5H10S/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
It can provide a standard way to encode the molecular information of (1R)-1-cyclopropylethane-1-thiol 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 (1R)-1-cyclopropylethane-1-thiol is:
InChIKey=QDAOVNWANSCYGD-SCSAIBSYSA-N
The InChIKey may allow easier web searches for (1R)-1-cyclopropylethane-1-thiol, but it needs to be linked to the full InChI to get back to the original structure of the (1R)-1-cyclopropylethane-1-thiol since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (1R)-1-cyclopropylethane-1-thiol
The (1R)-1-cyclopropylethane-1-thiol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (1R)-1-cyclopropylethane-1-thiol including the registry numbers are listed below, if available:
None available.
(1R)-1-cyclopropylethane-1-thiol Identification Summary Frequently Asked Questions (FAQs)
| What’s the (1R)-1-cyclopropylethane-1-thiol formula? |
|---|
| C5H10S |
| How many atoms and what elements are included in the (1R)-1-cyclopropylethane-1-thiol molecule? |
| 16 atom(s) - 10 Hydrogen atom(s), 5 Carbon atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what kind of bonds are in the (1R)-1-cyclopropylethane-1-thiol structure? |
| 16 bond(s) - 6 non-H bond(s), 1 rotatable bond(s), 1 three-membered ring(s), and 1 thiol(s) |
| What’s the (1R)-1-cyclopropylethane-1-thiol’s molar mass? |
| 102.1979 g/mol |
| What’s the SMILES structure of (1R)-1-cyclopropylethane-1-thiol? |
| CC(S)C1CC1 |
| What’s the InChI code of (1R)-1-cyclopropylethane-1-thiol? |
| InChI=1S/C5H10S/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1 |
| What’s the InChIKey format of (1R)-1-cyclopropylethane-1-thiol? |
| QDAOVNWANSCYGD-SCSAIBSYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).