Home Structure Benzyl thiocyanate

Structure of Benzyl thiocyanate (C8H7NS)

Identification of Benzyl thiocyanate Chemical Compound

2D chemical structure image of Benzyl thiocyanate
Chemical Formula C8H7NS
Molecular Weight 149.21288 g/mol
IUPAC Name (benzylsulfanyl)carbonitrile
SMILES String N#CSCc1ccccc1
InChI InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey ABNDFSOIUFLJAH-UHFFFAOYSA-N

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:

2D chemical structure image of Benzyl thiocyanate
2-dimensional (2D) chemical structure image of Benzyl thiocyanate
3D chemical structure image of Benzyl thiocyanate
3-dimensional (3D) chemical structure image of Benzyl thiocyanate

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

  • 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
    • 3012-37-1
    • Tropeolin
    • Thiocyanic acid, phenylmethyl ester
    • Solvat 14
    • BENZYLTHIOCYANATE
    • Thiocyanic acid, benzyl ester
    • Benzylrhodonid
    • alpha-Thiocyanatotoluene
    • Benzyl-thiocyanate
    • Thiocyanic acid benzyl ester
    • (benzylsulfanyl)carbonitrile
    • Toluene, alpha-thiocyanato-
    • phenylmethyl thiocyanate
    • .alpha.-Thiocyanatotoluene
    • Toluene, .alpha.-thiocyanato-
    • benzylthiocarbonitrile
    • thiocyanato-methyl-benzene
    • (phenylmethyl) thiocyanate
    • YX8TAO9O90
    • thiocyanic acid (phenylmethyl) ester
    • 8051AF
    • ANW-26783
    • BDBM50073737
    • MFCD00001832
    • Benzyl thiocyanate, >=95.0% (GC)
    • CAS-3012-37-1
    • A820216
    • I01-3588
    • J-017789
    • EN300-127576

Benzyl thiocyanate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Benzyl thiocyanate?
C8H7NS
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?
149.21288 g/mol
What’s the SMILES code of Benzyl thiocyanate?
N#CSCc1ccccc1
What’s the InChI string of Benzyl thiocyanate?
InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
What’s the InChIKey code of Benzyl thiocyanate?
ABNDFSOIUFLJAH-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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