Home Chemical Structure O-Tolylthiourea

Chemical Structure of O-Tolylthiourea (C8H10N2S)

Identification of O-Tolylthiourea Chemical Compound

2D chemical structure image of o-Tolylthiourea
Chemical Formula C8H10N2S
Molecular Weight 166.2434 g/mol
IUPAC Name (2-methylphenyl)thiourea
SMILES String Cc1ccccc1NC(N)=S
InChI InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey ACLZYRNSDLQOIA-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 o-Tolylthiourea molecule contains a total of 21 bond(s). There are 11 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 urea (-thio) derivative(s).
Images of the chemical structure of o-Tolylthiourea are given below:

2D chemical structure image of o-Tolylthiourea
2-dimensional (2D) chemical structure image of o-Tolylthiourea
3D chemical structure image of o-Tolylthiourea
3-dimensional (3D) chemical structure image of o-Tolylthiourea

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


An Interactive 3-dimensional (3D) Visualization of O-Tolylthiourea

For a better understanding of the chemical structure, an interactive 3D visualization of o-Tolylthiourea is provided here.

The o-Tolylthiourea 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 o-Tolylthiourea 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 o-Tolylthiourea 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 O-Tolylthiourea Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of o-Tolylthiourea

    The SMILES string of o-Tolylthiourea is Cc1ccccc1NC(N)=S, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the o-Tolylthiourea.

  • Structure Data File (SDF/MOL File) of o-Tolylthiourea

    The structure data file (SDF/MOL File) of o-Tolylthiourea is available for download in the SDF page of o-Tolylthiourea, which provides the information about the atoms, bonds, connectivity and coordinates of o-Tolylthiourea. The o-Tolylthiourea structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of o-Tolylthiourea

    The molecular formula of o-Tolylthiourea is available in chemical formula page of o-Tolylthiourea, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of o-Tolylthiourea

    The molecular weight of o-Tolylthiourea is available in molecular weight page of o-Tolylthiourea, 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 o-Tolylthiourea

    The o-Tolylthiourea compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of o-Tolylthiourea including the various registry numbers, if available:

    • o-Tolylthiourea
    • 614-78-8
    • (2-Methylphenyl)thiourea
    • N-(o-Tolyl)thiourea
    • N-(2-METHYLPHENYL)THIOUREA
    • 1-(2-Methylphenyl)thiourea
    • 2-Tolylthiourea
    • 1-(2-Methylphenyl)-2-thiourea
    • 1-o-Tolyl-2-thiourea
    • Thiourea, (2-methylphenyl)-
    • Urea, 2-thio-1-o-tolyl-
    • 1-(o-tolyl)thiourea
    • 2-Methylphenylthiourea
    • Thiourea, 1-(2-tolyl)-
    • Thiourea, N-(2-methylphenyl)-
    • Amino[(2-methylphenyl)amino]methane-1-thione
    • F0777-0580
    • o-toluylthiourea
    • 1-o-tolylthiourea
    • 2-thio-1-o-tolylurea
    • o-methyl phenyl thiourea
    • Thiourea, (methylphenyl)-
    • 4K71RZN35H
    • HMS566C18
    • ANW-33827
    • BDBM50356167
    • MFCD00041162
    • RTR-021178
    • I549
    • T8039
    • EN300-28847
    • A833254
    • I01-2917
    • W-105152
    • 2-(4-Methoxycyclohex-1-enyl)-4,4,5,5-tetramethyl-1
    • Z199467218
    • 5Q5
    • 64284-23-7
    • BBV-209470
    • C-04810
    • o-Tolyl-thiourea

O-Tolylthiourea Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of o-Tolylthiourea?

    C8H10N2S
  • How many atoms and what are the elements included the o-Tolylthiourea molecule?

    21 atom(s) – 10 Hydrogen atom(s), 8 Carbon atom(s), 2 Nitrogen atom(s) and 1 Sulfur atom(s)
  • How many chemical bonds and what kind of bonds are included the o-Tolylthiourea structure?

    21 bond(s) – 11 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 urea (-thio) derivative(s)
  • What’s the o-Tolylthiourea’s molecular weight?

    166.2434 g/mol
  • What’s the SMILES code of o-Tolylthiourea?

    Cc1ccccc1NC(N)=S
  • What’s the InChI string of o-Tolylthiourea?

    InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
  • What’s the InChIKey code of o-Tolylthiourea?

    ACLZYRNSDLQOIA-UHFFFAOYSA-N

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