Home Chemical Formula O-Tolylthiourea

Chemical Formula 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 Formula Description

The o-Tolylthiourea molecule contains a total of 21 atom(s). There are 10 Hydrogen atom(s), 8 Carbon atom(s), 2 Nitrogen atom(s) and 1 Sulfur atom(s). A chemical formula of o-Tolylthiourea can therefore be written as:

C8H10N2S

The chemical formula of o-Tolylthiourea shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of o-Tolylthiourea
Ball-and-stick model of o-Tolylthiourea

Additional Information for Identifying O-Tolylthiourea Molecule

  • Structure Data File (SDF) of o-Tolylthiourea

    The structure data file (SDF) of o-Tolylthiourea is available for download in the SDF page of o-Tolylthiourea providing the information about the atoms, bonds, connectivity and coordinates of o-Tolylthiourea, which is not completely available in the chemical formula representation. The o-Tolylthiourea structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of o-Tolylthiourea

    The chemical structure image of o-Tolylthiourea is available in chemical structure page of o-Tolylthiourea, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of o-Tolylthiourea and the chemical bonds that hold the atoms together.

  • 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 specified in the chemical formula of o-Tolylthiourea.

  • InChI (IUPAC International Chemical Identifier) information of o-Tolylthiourea

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of o-Tolylthiourea is:

    InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

    It can provide a standard way to encode the molecular information of o-Tolylthiourea to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of o-Tolylthiourea is:

    InChIKey=ACLZYRNSDLQOIA-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for o-Tolylthiourea, but it needs to be linked to the full InChI to get back to the original structure of the o-Tolylthiourea since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of o-Tolylthiourea

    The o-Tolylthiourea compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of o-Tolylthiourea including the registry numbers is given below, 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

O-Tolylthiourea Identification Summary Frequently Asked Questions (FAQs)

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

    C8H10N2S
  • How many atoms and what are they in the o-Tolylthiourea structure?

    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 are they in 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 molecular weight of o-Tolylthiourea?

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

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

    ACLZYRNSDLQOIA-UHFFFAOYSA-N

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