Structure & Deep Data of O-Tolylthiourea (C8H10N2S)

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:

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. Download structure data file (SDF/MOL) file of this compound.

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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-Tolyl-thiourea
  • C-04810
  • BBV-209470
  • 64284-23-7
  • 5Q5
  • Z199467218
  • 2-(4-Methoxycyclohex-1-enyl)-4,4,5,5-tetramethyl-1
  • W-105152
  • I01-2917
  • A833254

  • EN300-28847
  • T8039
  • I549
  • RTR-021178
  • MFCD00041162
  • BDBM50356167
  • ANW-33827
  • HMS566C18
  • 4K71RZN35H
  • Thiourea, (methylphenyl)-

  • o-methyl phenyl thiourea
  • 2-thio-1-o-tolylurea
  • 1-o-tolylthiourea
  • o-toluylthiourea
  • F0777-0580
  • Amino[(2-methylphenyl)amino]methane-1-thione
  • Thiourea, N-(2-methylphenyl)-
  • Thiourea, 1-(2-tolyl)-
  • 2-Methylphenylthiourea
  • 1-(o-tolyl)thiourea

  • Urea, 2-thio-1-o-tolyl-
  • Thiourea, (2-methylphenyl)-
  • 1-o-Tolyl-2-thiourea
  • 1-(2-Methylphenyl)-2-thiourea
  • 2-Tolylthiourea
  • 1-(2-Methylphenyl)thiourea
  • N-(2-METHYLPHENYL)THIOUREA
  • N-(o-Tolyl)thiourea
  • 614-78-8
  • o-Tolylthiourea

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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

59 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).