Molecular Weight of Butylate (C11H23NOS)
Identification of Butylate Chemical Compound
Chemical Formula | C11H23NOS |
---|---|
Molecular Weight | 217.37142 g/mol |
IUPAC Name | N,N-bis(2-methylpropyl)(ethylsulfanyl)formamide |
SMILES String | CCSC(=O)N(CC(C)C)CC(C)C |
InChI | InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3 |
InChIKey | BMTAFVWTTFSTOG-UHFFFAOYSA-N |
Molecular Weight Description
The Butylate molecule consists of 23 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), 1 Oxygen atom(s), and 1 Sulfur atom(s) - a total of 37 atom(s). The molecular weight of Butylate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 217.37142 · \frac{g}{mol} $$
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 Butylate Molecule
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Structure Data File (SDF/MOL File) of Butylate
The structure data file (SDF/MOL File) of Butylate is available for download in the SDF page of Butylate, which provides the information on atoms, bonds, connectivity and coordinates of Butylate. The Butylate 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 Butylate
The molecular structure image of Butylate is available in chemical structure page of Butylate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Butylate and the chemical bonds that hold the atoms together.
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Chemical formula of Butylate
The molecular formula of Butylate is given in chemical formula page of Butylate, 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 Butylate
In addition to the molecular weight information, the structural information of Butylate in a textual expression is available via InChi. The full standard InChI of Butylate is given below:
InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3
It can provide a way to encode the molecular information of Butylate 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 Butylate is:
InChIKey=BMTAFVWTTFSTOG-UHFFFAOYSA-N
It may allow easier web searches for Butylate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Butylate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Butylate
There may be different names of the Butylate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- J-013001
- I09-2068
- C-11826
- S-ethyl N,N-bis(2-methylpropyl)carbamothioate
- Butylat, PESTANAL(R), analytical standard
- CAS-2008-41-5
- S-ethyl N,N-diisobutyl-thiocarbamate
- MFCD00055338
- S-ethyl N,N-diisobutylcarbamothioate
- 3U78PG73G7
- S-Ethyl diisobutylthiocarbamate #
- s-ethyl diisobutyl thiocarbamate
- Stauffer R-1,910
- N-BUTYLATE
- S-ethyl bis(2-methylpropyl)-carbamothioate
- S-Ethyl diisobutylthiocarbamate
- Carbamothioic acid, N,N-bis(2-methylpropyl)-, S-ethyl ester
- Bis(2-methylpropyl)carbamothioic acid, S-ethyl ester
- R-1910
- R1910
- S-Ethyl bis(2-methylpropyl) carbamothioate
- EPA Pesticide Chemical Code 041405
- R 1910
- Carbamothioic acid, bis(2-methylpropyl)-, S-ethyl ester
- Ethyl-N,N-diisobutylthiocarbamate
- S-Ethyl bis(2-methylpropyl)carbamothioate
- Bis(2-methylpropyl)carbamothioic acid S-ethyl ester
- S-Ethyl di-isobutylthiocarbamate
- Diisobutylthiocarbamic acid S-ethyl ester
- S-Ethyldiisobutyl thiocarbamate
- S-Ethyldiisobutylthiocarbamate
- S-Ethyl N,N-diisobutyl thiolcarbamate
- Carbamic acid, diisobutylthio-, S-ethyl ester
- S-Ethyl N,N-diisobutyl thiocarbamate
- Ethyl-N,N-diisobutyl thiolcarbamate
- Ethyl N,N-diisobutylthiolcarbamate
- Ethyl N,N-diisobutylthiocarbamate
- Sutar' 85 E
- Butilate [ISO-French]
- Butylate [BSI:ISO]
- Caswell No. 434A
- Sutan 6E
- Stauffer R-1910
- Genate plus
- Suazin
- Genate
- Tomahawk
- Butylat
- Aneldazine
- 2008-41-5
- Anelda
- Diisocarb
- S-Ethyl N,N-diisobutylthiocarbamate
- SUTAN
- Butilate
- Butylate
Butylate Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Butylate? |
---|
C11H23NOS |
How many atoms and what are the elements in the Butylate molecule? |
37 atom(s) - 23 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), 1 Oxygen atom(s), and 1 Sulfur atom(s) |
How many chemical bonds and what types of bonds are in the Butylate structure? |
36 bond(s) - 13 non-H bond(s), 1 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), and 1 (thio-) carbamate(s) (aliphatic) |
What’s the molar mass of Butylate? |
217.37142 g/mol |
What’s the SMILES format of Butylate? |
CCSC(=O)N(CC(C)C)CC(C)C |
What’s the InChI format of Butylate? |
InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3 |
What’s the InChIKey string of Butylate? |
BMTAFVWTTFSTOG-UHFFFAOYSA-N |
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The contents of this page can freely be shared if cited as follows:
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).