Structure & Deep Data of 2-Amino-5-methylbenzenesulfonic acid (C7H9NO3S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 2-Amino-5-methylbenzenesulfonic acid molecule contains a total of 21 bond(s). There are 12 non-H bond(s), 8 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 primary amine(s) (aromatic), 1 hydroxyl group(s), and 1 sulfonic (thio-/dithio-) acid(s). Images of the chemical structure of 2-Amino-5-methylbenzenesulfonic acid are given below:

The 2D chemical structure image of 2-Amino-5-methylbenzenesulfonic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2-Amino-5-methylbenzenesulfonic acid 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 2-Amino-5-methylbenzenesulfonic acid 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 2-Amino-5-methylbenzenesulfonic acid. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 2-Amino-5-methylbenzenesulfonic acid Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 2-Amino-5-methylbenzenesulfonic acid

  The SMILES string of 2-Amino-5-methylbenzenesulfonic acid is Cc1ccc(N)c(c1)S(O)(=O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2-Amino-5-methylbenzenesulfonic acid.

• Structure Data File (SDF/MOL File) of 2-Amino-5-methylbenzenesulfonic acid

  The structure data file (SDF/MOL File) of 2-Amino-5-methylbenzenesulfonic acid is available for download in the SDF page of 2-Amino-5-methylbenzenesulfonic acid, which provides the information about the atoms, bonds, connectivity and coordinates of 2-Amino-5-methylbenzenesulfonic acid. The 2-Amino-5-methylbenzenesulfonic acid structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 2-Amino-5-methylbenzenesulfonic acid

  The molecular formula of 2-Amino-5-methylbenzenesulfonic acid is available in chemical formula page of 2-Amino-5-methylbenzenesulfonic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 2-Amino-5-methylbenzenesulfonic acid

  The molecular weight of 2-Amino-5-methylbenzenesulfonic acid is available in molecular weight page of 2-Amino-5-methylbenzenesulfonic acid, 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 2-Amino-5-methylbenzenesulfonic acid

  The 2-Amino-5-methylbenzenesulfonic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2-Amino-5-methylbenzenesulfonic acid including the various registry numbers, if available:

  • C-35140
  • EN300-122623
  • AR-1L2551
  • W-100404
  • I01-6554
  • AE-562/43461529
  • 2-AMINO-5-METHYLBENZENE SULFONIC ACID
  • A0328
  • L186
  • 2-Amino-5-methyl-1-benzenesulfonic acid

  • 1-amino-4-methylbenzene-2-sulfonic acid
  • 2-amino-5-methyl-benzene sulfonic acid
  • 4-Aminotoluene-3-sulfonic acid, 99%
  • 2-amino-5-methyl-benzenesulphonic acid
  • ANW-39016
  • 3-methyl-6-aminobenzenesulfonic acid
  • FF86IBK68Z
  • 4B Acid, Free Acid
  • 6-Amino-m-toluenesulfonic acid [SO3H=1]
  • CAS-88-44-8

  • MFCD00007908
  • 6-Amino-meta-toluenesulfonic acid [SO3H=1]
  • 2-amino-5-methyl-benzenesulfonic acid
  • 4-Methylaniline-2-sulfonic acid
  • Kyselina 4-toluidin-3-sulfonova [Czech]
  • 6-Amino-meta-toluenesulfonic acid (SO3H=1)
  • 6-Amino-m-toluenesulfonic acid (SO3H=1)
  • Kyselina 4-toluidin-3-sulfonova
  • 4-Aminotoluene-3-sulphonic acid
  • m-Toluenesulfonic acid, 6-amino-

  • P-TOLUIDINE-M-SULFONIC ACID
  • p-Toluidine-2-sulfonic Acid
  • Red 4B acid
  • Benzenesulfonic acid, 2-amino-5-methyl-
  • 6-Amino-m-toluenesulfonic acid
  • PTMS
  • Ptmsptmsa
  • 4-Aminotoluene-3-sulfonic acid
  • 88-44-8
  • 2-Amino-5-methylbenzenesulfonic acid

  • PTMSA

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2-Amino-5-methylbenzenesulfonic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 2-Amino-5-methylbenzenesulfonic acid?
C7H9NO3S
How many atoms and what are the elements included the 2-Amino-5-methylbenzenesulfonic acid molecule?
21 atom(s) - 9 Hydrogen atom(s), 7 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the 2-Amino-5-methylbenzenesulfonic acid structure?
21 bond(s) - 12 non-H bond(s), 8 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 primary amine(s) (aromatic), 1 hydroxyl group(s), and 1 sulfonic (thio-/dithio-) acid(s)
What’s the 2-Amino-5-methylbenzenesulfonic acid’s molecular weight?
187.21626 g/mol
What’s the SMILES code of 2-Amino-5-methylbenzenesulfonic acid?
Cc1ccc(N)c(c1)S(O)(=O)=O
What’s the InChI string of 2-Amino-5-methylbenzenesulfonic acid?
InChI=1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
What’s the InChIKey code of 2-Amino-5-methylbenzenesulfonic acid?
LTPSRQRIPCVMKQ-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).