SDF/Mol File of Butylate (C11H23NOS)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Butylate Molecule

• Chemical structure of Butylate

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Butylate is available in chemical structure page of Butylate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of Butylate

  The molecular weight of Butylate is available in molecular weight page of Butylate, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of Butylate

  The chemical 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.

• InChI (IUPAC International Chemical Identifier) information of Butylate

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of Butylate is:

  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 standard 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

  The InChIKey may allow easier web searches for Butylate, but it needs to be linked to the full InChI to get back to the original structure of the Butylate since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Butylate

  The Butylate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Butylate including the registry numbers are listed below, 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

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Butylate Identification Summary Frequently Asked Questions (FAQs)

What’s the Butylate formula?
C11H23NOS
How many atoms and what elements are included 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 kind 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 Butylate’s molar mass?
217.37142 g/mol
What’s the SMILES structure of Butylate?
CCSC(=O)N(CC(C)C)CC(C)C
What’s the InChI code 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 format of Butylate?
BMTAFVWTTFSTOG-UHFFFAOYSA-N

25 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).