Structure of Benzyl thiocyanate (C8H7NS)
Identification of Benzyl thiocyanate Chemical Compound
|Molecular Weight||149.21288 g/mol|
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Benzyl thiocyanate molecule contains a total of 17 bond(s). There are 10 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 triple bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 thiocyanate(s) (aliphatic).
Images of the chemical structure of Benzyl thiocyanate are given below:
The 2D chemical structure image of Benzyl thiocyanate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Benzyl thiocyanate are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of Benzyl thiocyanate is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Benzyl thiocyanate.
An Interactive 3-dimensional (3D) Visualization of Benzyl thiocyanate
For a better understanding of the chemical structure, an interactive 3D visualization of Benzyl thiocyanate is provided here.
The Benzyl thiocyanate molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Benzyl thiocyanate molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Benzyl thiocyanate can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file.
Additional Information for Identifying Benzyl thiocyanate Molecule
SMILES (Simplified Molecular-Input Line-Entry System) string of Benzyl thiocyanate
The SMILES string of Benzyl thiocyanate is N#CSCc1ccccc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Benzyl thiocyanate.
The structure data file (SDF/MOL File) of Benzyl thiocyanate is available for download in the SDF page of Benzyl thiocyanate, which provides the information about the atoms, bonds, connectivity and coordinates of Benzyl thiocyanate. The Benzyl thiocyanate structure data file can be imported to most of the cheminformatics software systems and applications.
The molecular formula of Benzyl thiocyanate is available in chemical formula page of Benzyl thiocyanate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
The molecular weight of Benzyl thiocyanate is available in molecular weight page of Benzyl thiocyanate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
Other names (synonyms) or registry numbers of Benzyl thiocyanate
The Benzyl thiocyanate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Benzyl thiocyanate including the various registry numbers, if available:
- Benzyl thiocyanate
- Thiocyanic acid, phenylmethyl ester
- Solvat 14
- Thiocyanic acid, benzyl ester
- Thiocyanic acid benzyl ester
- Toluene, alpha-thiocyanato-
- phenylmethyl thiocyanate
- Toluene, .alpha.-thiocyanato-
- (phenylmethyl) thiocyanate
- thiocyanic acid (phenylmethyl) ester
- Benzyl thiocyanate, >=95.0% (GC)
Benzyl thiocyanate Identification Summary Frequently Asked Questions (FAQs)
|What’s the chemical formula of Benzyl thiocyanate?|
|How many atoms and what are the elements included the Benzyl thiocyanate molecule?|
|17 atom(s) - 7 Hydrogen atom(s), 8 Carbon atom(s), 1 Nitrogen atom(s) and 1 Sulfur atom(s)|
|How many chemical bonds and what kind of bonds are included the Benzyl thiocyanate structure?|
|17 bond(s) - 10 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 triple bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 thiocyanate(s) (aliphatic)|
|What’s the Benzyl thiocyanate’s molecular weight?|
|What’s the SMILES code of Benzyl thiocyanate?|
|What’s the InChI string of Benzyl thiocyanate?|
|What’s the InChIKey code of Benzyl thiocyanate?|