Structure of P-Tolyl isothiocyanate (C8H7NS)
Identification of P-Tolyl isothiocyanate 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 p-Tolyl isothiocyanate molecule contains a total of 17 bond(s). There are 10 non-H bond(s), 8 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 isothiocyanate(s) (aromatic).
Images of the chemical structure of p-Tolyl isothiocyanate are given below:
The 2D chemical structure image of p-Tolyl isothiocyanate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of p-Tolyl isothiocyanate 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 p-Tolyl isothiocyanate 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 p-Tolyl isothiocyanate.
An Interactive 3-dimensional (3D) Visualization of P-Tolyl isothiocyanate
For a better understanding of the chemical structure, an interactive 3D visualization of p-Tolyl isothiocyanate is provided here.
The p-Tolyl isothiocyanate 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 p-Tolyl isothiocyanate 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 p-Tolyl isothiocyanate 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 P-Tolyl isothiocyanate Molecule
SMILES (Simplified Molecular-Input Line-Entry System) string of p-Tolyl isothiocyanate
The SMILES string of p-Tolyl isothiocyanate is Cc1ccc(N=C=S)cc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the p-Tolyl isothiocyanate.
The structure data file (SDF/MOL File) of p-Tolyl isothiocyanate is available for download in the SDF page of p-Tolyl isothiocyanate, which provides the information about the atoms, bonds, connectivity and coordinates of p-Tolyl isothiocyanate. The p-Tolyl isothiocyanate structure data file can be imported to most of the cheminformatics software systems and applications.
The molecular formula of p-Tolyl isothiocyanate is available in chemical formula page of p-Tolyl isothiocyanate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
The molecular weight of p-Tolyl isothiocyanate is available in molecular weight page of p-Tolyl isothiocyanate, 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 p-Tolyl isothiocyanate
The p-Tolyl isothiocyanate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of p-Tolyl isothiocyanate including the various registry numbers, if available:
- p-Tolyl isothiocyanate
- 4-Methylphenyl isothiocyanate
- 4-Tolyl isothiocyanate
- Isothiocyanic acid, p-tolyl ester
- ISOTHIOCYANIC ACID, 4-TOLYL ESTER
- Benzene, 1-isothiocyanato-4-methyl-
- Isothiocyanic Acid p-Tolyl Ester
- 4methylphenyl isothiocyanate
- p-Methylphenyl isothiocyanate
- p-Tolyl isothiocyanate, 97%
P-Tolyl isothiocyanate Identification Summary Frequently Asked Questions (FAQs)
|What’s the chemical formula of p-Tolyl isothiocyanate?|
|How many atoms and what are the elements included the p-Tolyl isothiocyanate 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 p-Tolyl isothiocyanate structure?|
|17 bond(s) - 10 non-H bond(s), 8 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 isothiocyanate(s) (aromatic)|
|What’s the p-Tolyl isothiocyanate’s molecular weight?|
|What’s the SMILES code of p-Tolyl isothiocyanate?|
|What’s the InChI string of p-Tolyl isothiocyanate?|
|What’s the InChIKey code of p-Tolyl isothiocyanate?|