Home Structure 2-Methoxyphenyl isothiocyanate

Structure of 2-Methoxyphenyl isothiocyanate (C8H7NOS)

Identification of 2-Methoxyphenyl isothiocyanate Chemical Compound

2D chemical structure image of 2-Methoxyphenyl isothiocyanate
Chemical Formula C8H7NOS
Molecular Weight 165.21228 g/mol
IUPAC Name 1-isothiocyanato-2-methoxybenzene
SMILES String COc1ccccc1N=C=S
InChI InChI=1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3
InChIKey QKAOOWJWWKWWOZ-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 2-Methoxyphenyl isothiocyanate molecule contains a total of 18 bond(s) There are 11 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 isothiocyanate(s) (aromatic) and 1 ether(s) (aromatic).
Images of the chemical structure of 2-Methoxyphenyl isothiocyanate are given below:

2D chemical structure image of 2-Methoxyphenyl isothiocyanate
2-dimensional (2D) chemical structure image of 2-Methoxyphenyl isothiocyanate
3D chemical structure image of 2-Methoxyphenyl isothiocyanate
3-dimensional (3D) chemical structure image of 2-Methoxyphenyl isothiocyanate

The 2D chemical structure image of 2-Methoxyphenyl isothiocyanate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2-Methoxyphenyl 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 2-Methoxyphenyl 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 2-Methoxyphenyl isothiocyanate.


An Interactive 3-dimensional (3D) Visualization of 2-Methoxyphenyl isothiocyanate

For a better understanding of the chemical structure, an interactive 3D visualization of 2-Methoxyphenyl isothiocyanate is provided here.

The 2-Methoxyphenyl 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 2-Methoxyphenyl 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 2-Methoxyphenyl 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.





More Properties of 2-Methoxyphenyl isothiocyanate

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics:







Additional Information for Identifying 2-Methoxyphenyl isothiocyanate Molecule

  • Other names (synonyms) or registry numbers of 2-Methoxyphenyl isothiocyanate

    The 2-Methoxyphenyl 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 2-Methoxyphenyl isothiocyanate including the various registry numbers, if available:

    • T5786374
    • BBV-104600
    • F1915-0002
    • J-802093
    • I09-2722
    • Z-0146
    • I0512
    • MFCD00011675
    • Benzene,1-isothiocyanato-2-methoxy-
    • ANW-13814
    • 2-Methoxyphenyl isothiocyanate, 98%
    • 1-Isothiocyanato-2-methoxybenzene #
    • 2-isothiocyanato-1-methoxy-benzene
    • HMS1785K11
    • orthomethoxyphenyl isothiocyanate
    • 2-methoxybenzenisothiocyanate
    • Isothiocyanic Acid 2-Methoxyphenyl Ester
    • 1-isothiocyanato-2-methoxy-benzene
    • 2-METHOXYPHENylisoTHIOCYANATE
    • o-Methoxyphenyl isothiocyanate
    • Benzene, 1-isothiocyanato-2-methoxy-
    • 3288-04-8
    • 2-Methoxyphenyl isothiocyanate
    • ZERO/008131

Additional Outstanding Products

2-Methoxyphenyl isothiocyanate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 2-Methoxyphenyl isothiocyanate?
C8H7NOS
How many atoms and what are the elements included the 2-Methoxyphenyl isothiocyanate molecule?
18 atom(s) - 7 Hydrogen atom(s), 8 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 included the 2-Methoxyphenyl isothiocyanate structure?
18 bond(s) - 11 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 isothiocyanate(s) (aromatic) and 1 ether(s) (aromatic)
What’s the 2-Methoxyphenyl isothiocyanate’s molecular weight?
165.21228 g/mol
What’s the SMILES code of 2-Methoxyphenyl isothiocyanate?
COc1ccccc1N=C=S
What’s the InChI string of 2-Methoxyphenyl isothiocyanate?
InChI=1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3
What’s the InChIKey code of 2-Methoxyphenyl isothiocyanate?
QKAOOWJWWKWWOZ-UHFFFAOYSA-N

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