Molecular Weight of AO-476/43362730 (C13H17N3OS3)
Identification of AO-476/43362730 Chemical Compound
| Chemical Formula | C13H17N3OS3 |
|---|---|
| Molecular Weight | 327.48858 g/mol |
| IUPAC Name | 1-(4-amino-3-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}thieno[2,3-c][1,2]thiazol-5-yl)ethan-1-one |
| SMILES String | CC(=O)c3sc2nsc(SCCN1CCCC1)c2c3N |
| InChI | InChI=1S/C13H17N3OS3/c1-8(17)11-10(14)9-12(19-11)15-20-13(9)18-7-6-16-4-2-3-5-16/h2-7,14H2,1H3 |
| InChIKey | WLGMOXHXQGODFR-UHFFFAOYSA-N |
Molecular Weight Description
The AO-476/43362730 molecule consists of 17 Hydrogen atom(s), 13 Carbon atom(s), 3 Nitrogen atom(s), 1 Oxygen atom(s), and 3 Sulfur atom(s) - a total of 37 atom(s). The molecular weight of AO-476/43362730 is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 327.48858 · \frac{g}{mol} $$
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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying AO-476/43362730 Molecule
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Structure Data File (SDF/MOL File) of AO-476/43362730
The structure data file (SDF/MOL File) of AO-476/43362730 is available for download in the SDF page of AO-476/43362730, which provides the information on atoms, bonds, connectivity and coordinates of AO-476/43362730. The AO-476/43362730 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 AO-476/43362730
The molecular structure image of AO-476/43362730 is available in chemical structure page of AO-476/43362730, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in AO-476/43362730 and the chemical bonds that hold the atoms together.
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Chemical formula of AO-476/43362730
The molecular formula of AO-476/43362730 is given in chemical formula page of AO-476/43362730, 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 AO-476/43362730
In addition to the molecular weight information, the structural information of AO-476/43362730 in a textual expression is available via InChi. The full standard InChI of AO-476/43362730 is given below:
InChI=1S/C13H17N3OS3/c1-8(17)11-10(14)9-12(19-11)15-20-13(9)18-7-6-16-4-2-3-5-16/h2-7,14H2,1H3
It can provide a way to encode the molecular information of AO-476/43362730 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 AO-476/43362730 is:
InChIKey=WLGMOXHXQGODFR-UHFFFAOYSA-N
It may allow easier web searches for AO-476/43362730. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the AO-476/43362730 as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of AO-476/43362730
There may be different names of the AO-476/43362730 compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 1-[4-amino-3-(2-pyrrolidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]ethanone
- 1-(4-Amino-3-([2-(1-pyrrolidinyl)ethyl]sulfanyl)thieno[2,3-c]isothiazol-5-yl)ethanone #
- 5-Acetyl-4-amino-3-(2-N-pyrrolidinylethylthio)thieno[2,3-c]isothiazole
- 1-(4-amino-3-{[2-(1-pyrrolidinyl)ethyl]sulfanyl}thieno[2,3-c]isothiazol-5-yl)-1-ethanone
- CCG-239496
- HMS2792C04
- HMS1304A19
- 1-(4-amino-3-{[2-(1-pyrrolidinyl)ethyl]sulfanyl}thieno[2,3-c]isothiazol-5-yl)ethanone
- 1-(4-Amino-3-([2-(1-pyrrolidinyl)ethyl]sulfanyl)thieno[2,3-c]isothiazol-5-yl)ethanone
- AO-476/43362730
AO-476/43362730 Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of AO-476/43362730? |
|---|
| C13H17N3OS3 |
| How many atoms and what are the elements in the AO-476/43362730 molecule? |
| 37 atom(s) - 17 Hydrogen atom(s), 13 Carbon atom(s), 3 Nitrogen atom(s), 1 Oxygen atom(s), and 3 Sulfur atom(s) |
| How many chemical bonds and what types of bonds are in the AO-476/43362730 structure? |
| 39 bond(s) - 22 non-H bond(s), 10 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 9 aromatic bond(s), 3 five-membered ring(s), 1 eight-membered ring(s), 1 ketone(s) (aromatic), 1 primary amine(s) (aromatic), 1 tertiary amine(s) (aliphatic), 1 sulfide(s), 1 Pyrrolidine(s), 1 Thiophene(s), and 1 Isothiazole(s) |
| What’s the molar mass of AO-476/43362730? |
| 327.48858 g/mol |
| What’s the SMILES format of AO-476/43362730? |
| CC(=O)c3sc2nsc(SCCN1CCCC1)c2c3N |
| What’s the InChI format of AO-476/43362730? |
| InChI=1S/C13H17N3OS3/c1-8(17)11-10(14)9-12(19-11)15-20-13(9)18-7-6-16-4-2-3-5-16/h2-7,14H2,1H3 |
| What’s the InChIKey string of AO-476/43362730? |
| WLGMOXHXQGODFR-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).