Structure & Deep Data of Benzenamine, 2-((4-methylphenyl)thio)- (C13H13NS)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Benzenamine, 2-((4-methylphenyl)thio)- molecule contains a total of 29 bond(s). There are 16 non-H bond(s), 12 multiple bond(s), 2 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 primary amine(s) (aromatic), and 1 sulfide(s). Images of the chemical structure of Benzenamine, 2-((4-methylphenyl)thio)- are given below:

The 2D chemical structure image of Benzenamine, 2-((4-methylphenyl)thio)- is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Benzenamine, 2-((4-methylphenyl)thio)- 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 Benzenamine, 2-((4-methylphenyl)thio)- 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 Benzenamine, 2-((4-methylphenyl)thio)-. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Benzenamine, 2-((4-methylphenyl)thio)- Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Benzenamine, 2-((4-methylphenyl)thio)-

  The SMILES string of Benzenamine, 2-((4-methylphenyl)thio)- is Cc2ccc(Sc1ccccc1N)cc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Benzenamine, 2-((4-methylphenyl)thio)-.

• Structure Data File (SDF/MOL File) of Benzenamine, 2-((4-methylphenyl)thio)-

  The structure data file (SDF/MOL File) of Benzenamine, 2-((4-methylphenyl)thio)- is available for download in the SDF page of Benzenamine, 2-((4-methylphenyl)thio)-, which provides the information about the atoms, bonds, connectivity and coordinates of Benzenamine, 2-((4-methylphenyl)thio)-. The Benzenamine, 2-((4-methylphenyl)thio)- structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Benzenamine, 2-((4-methylphenyl)thio)-

  The molecular formula of Benzenamine, 2-((4-methylphenyl)thio)- is available in chemical formula page of Benzenamine, 2-((4-methylphenyl)thio)-, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Benzenamine, 2-((4-methylphenyl)thio)-

  The molecular weight of Benzenamine, 2-((4-methylphenyl)thio)- is available in molecular weight page of Benzenamine, 2-((4-methylphenyl)thio)-, 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 Benzenamine, 2-((4-methylphenyl)thio)-

  The Benzenamine, 2-((4-methylphenyl)thio)- compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Benzenamine, 2-((4-methylphenyl)thio)- including the various registry numbers, if available:

  • Benzenamine,2-[(4-methylphenyl)thio]-
  • 2-Aminophenyl 4-methylphenyl sulfide
  • 2-(PARA-TOLYLTHIO)-ANILINE
  • 2-(4-methylphenyl)sulfanylaniline
  • 2-(p-tolylsulfanyl)aniline
  • 2NH2Ph-S-4MePh
  • Benzenamine, 2-[(4-methylphenyl)thio]-
  • 2-(p-Tolylthio)aniline
  • 16452-09-8
  • Benzenamine, 2-((4-methylphenyl)thio)-

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Benzenamine, 2-((4-methylphenyl)thio)- Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Benzenamine, 2-((4-methylphenyl)thio)-?
C13H13NS
How many atoms and what are the elements included the Benzenamine, 2-((4-methylphenyl)thio)- molecule?
28 atom(s) - 13 Hydrogen atom(s), 13 Carbon atom(s), 1 Nitrogen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the Benzenamine, 2-((4-methylphenyl)thio)- structure?
29 bond(s) - 16 non-H bond(s), 12 multiple bond(s), 2 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 primary amine(s) (aromatic), and 1 sulfide(s)
What’s the Benzenamine, 2-((4-methylphenyl)thio)-’s molecular weight?
215.31402 g/mol
What’s the SMILES code of Benzenamine, 2-((4-methylphenyl)thio)-?
Cc2ccc(Sc1ccccc1N)cc2
What’s the InChI string of Benzenamine, 2-((4-methylphenyl)thio)-?
InChI=1S/C13H13NS/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h2-9H,14H2,1H3
What’s the InChIKey code of Benzenamine, 2-((4-methylphenyl)thio)-?
KGFFMVMQCXIUOX-UHFFFAOYSA-N

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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).