Download Structure Data File(SDF/Mol File) 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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of o-Tolylthiourea is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of o-Tolylthiourea molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

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

Additional Information for Identifying O-Tolylthiourea Molecule

  • Chemical structure of o-Tolylthiourea

    By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of o-Tolylthiourea

    The chemical formula of o-Tolylthiourea is given 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.

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

    An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of o-Tolylthiourea including the registry numbers are listed 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
    • BBV-209470
    • C-04810
    • o-Tolyl-thiourea

O-Tolylthiourea Identification Summary Frequently Asked Questions (FAQs)

  • What’s the o-Tolylthiourea formula?

    C8H10N2S
  • How many atoms and what elements are included in 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 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 o-Tolylthiourea’s molar mass?

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

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

    ACLZYRNSDLQOIA-UHFFFAOYSA-N

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