Structure & Deep Data of Saccharin (C7H5NO3S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The saccharin molecule contains a total of 18 bond(s). There are 13 non-H bond(s), 9 multiple bond(s), 3 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), and 1 sulfonamide(s) (thio-/dithio-). Images of the chemical structure of saccharin are given below:

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

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Additional Information for Identifying Saccharin Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of saccharin

  The SMILES string of saccharin is O=C1NS(=O)(=O)c2ccccc12, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the saccharin.

• Structure Data File (SDF/MOL File) of saccharin

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

• Chemical formula of saccharin

  The molecular formula of saccharin is available in chemical formula page of saccharin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of saccharin

  The molecular weight of saccharin is available in molecular weight page of saccharin, 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 saccharin

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

  • T5883772
  • EN300-18624
  • BBV-46878587
  • Mettler-Toledo Calibration substance ME 51143091, Saccharin, traceable to primary standards (LGC)
  • 890126-34-8
  • 61255-27-4
  • 474-91-9
  • 126987-83-5
  • Saccharin, pharmaceutical secondary standard; traceable to USP and PhEur
  • SACCHARIN (229 degrees C) MELTING POINT STANDARD, WHO STANDARD

  • Saccharin, United States Pharmacopeia (USP) Reference Standard
  • 1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one
  • Saccharin, European Pharmacopoeia (EP) Reference Standard
  • 1,1-dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one
  • 1, 2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt
  • Z256708526
  • 1, 2-Benzothiazol-3(2H)-one 1,1-dioxide sodium salt
  • 1, 2-Benzisothiazolin-3-one, 1,1-dioxide, sodium salt
  • I14-62592
  • 2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione

  • 2,3-Dihydro-1,2-benzoisothiazol-3-one-1,1-dioxide
  • 03AC8EC2-D02A-464C-A7C3-7CABD643CC1E
  • W-200289
  • 2,3-dihydro-3-oxo-1,2-benzisothiazol-1,1-dioxide
  • 2,3-dihydro-1lambda,2-benzothiazole-1,1,3-trione
  • 2,3-dihydro-1,2-benzisothiazol-3-one-1,1-dioxide
  • 1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole
  • AB00052233-04
  • 3-keto-2H,3H-1,2-benzisothiazole 1,1-dioxide
  • D01085

  • 1,2-Benzisothiazol-3(2H)-one -1,1-dioxide
  • 1,1-Dioxide-1,2-benzisothiazol-3(2H)-one
  • Z1771
  • H2947
  • B0004
  • 1,2-benzisothiazol-3(2H)-one-1,1-dioxide
  • SBI-0051671.P002
  • 1.2 -benzoisothiazole-3-on 1.1-dioxide
  • 1,2-Benzisothiazoline-3-one 1,1-dioxide
  • E954

  • BAS 00293362
  • Benzisosulfonazole, 2,3-dihydro-3-oxo-
  • 1,1-Diox-1,2-benzisothiazol-3-one
  • MFCD00005866
  • CCG-39011
  • Pharmakon1600-01501171
  • HMS2092J09
  • HMS1921N03
  • 2q38
  • HMS500I06

  • BDBM29278
  • GTPL5432
  • SPECTRUM1501171
  • ARONIS27195
  • FST467XS7D
  • Saccharin (JP17/NF)
  • Saccharin, >=99%
  • Saccharin, >=98%
  • Tolunene-2-sulfonamide
  • 2-Sulfobenzoic imide

  • Sweeta (TN)
  • Ortho sulphobenzamide
  • Saccharin nitranion
  • Benzo-sulphinide
  • Syncal
  • o-Benzoic acid sulfimide
  • Saccharin [USAN]
  • 2-hydrobenzo[d]isothiazole-1,1,3-trione
  • CAS-81-07-2
  • Saccharin (only persons who manufacture are subject, no supplier notification)

  • 128-44-9
  • Artificial sweetening substanz gendorf 450
  • 2,3-Dihydroxy-1,2-benzisothiazol-3-one-1,1-dioxide
  • 2,3-dihydro-1$l;{6},2-benzothiazole-1,1,3-trione
  • 1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one
  • 1,1-Dioxo-1,2-benzisothiazol-3(2H)-one
  • Saccharin, soluble
  • 1,1-Dioxide-1,2-benzisothiazolin-3-one
  • Saccharin-d4
  • o-Sulfonbenzoic acid imide sodium salt

  • 1,2-Benzothiazol-3(2H)-one 1,1-dioxide
  • 1,2-Benzisothiazolin-3-one, 1,1-dioxide
  • Sodium o-benzosulfimide
  • Saccharin, sodium salt
  • RCRA waste no. U202
  • 1,1-dioxo-1,2-benzothiazol-3-one
  • Sodium saccharinate
  • Saccharine soluble
  • Soluble saccharin
  • Sodium saccharine

  • Sodium saccharide
  • Saccharin soluble
  • 1,2-Benzisothiazolin-3-one 1,1-dioxide
  • Sodium saccharin
  • Saccharin, insoluble
  • Sucromat
  • Madhurin
  • Willosetten
  • Kristallose
  • Crystallose

  • Cristallose
  • 3-Hydroxybenzisothiazole-S,S-dioxide
  • 2-Sulfobenzoic acid imide
  • 1,2-Dihydro-2-ketobenzisosulphonazole
  • 2,3-Dihydro-3-oxobenzisosulphonazole
  • 3-Hydroxybenzisothiazole S,S-dioxide
  • SACCHARIN SODIUM
  • 3-Benzisothiazolinone 1,1-dioxide
  • Sulfobenzimide, O-
  • Benzosulfimide, O-

  • Saccharin and salts
  • Rcra waste number U202
  • Sacharin [Czech]
  • Benzo[d]isothiazol-3(2H)-one 1,1-dioxide
  • 1,2-Dihydro-2-ketobenzisosulfonazole
  • Benzoic acid sulfimide
  • 2-Sulphobenzoic imide
  • Sacharin
  • Sweeta
  • o-Benzoyl sulphimide

  • o-Benzoic sulphimide
  • 2,3-Dihydro-3-oxobenzisosulfonazole
  • Saccharin, puriss., 98%
  • Anhydro-o-sulfaminebenzoic acid
  • 1,2-Benzisothiazol-3(2H)-one 1,1-dioxide
  • Insoluble saccharin
  • o-Benzosulphimide
  • Benzoylsulfonic Imide
  • Sucre edulcor
  • o-Sulfobenzoic acid imide

  • Natreen
  • Zaharina
  • Sucrette
  • Sacarina
  • Kandiset
  • o-Benzoyl sulfimide
  • Benzo-2-sulphimide
  • 550 Saccharine
  • Saccharin insoluble
  • Benzoic sulphimide

  • 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide
  • Saccharin acid
  • Sykose
  • Saxin
  • Glucid
  • Saccharol
  • Saccharina
  • Hermesetas
  • Benzosulfinide
  • Gluside

  • Saccharinose
  • Saccharinol
  • Garantose
  • Benzosulphimide
  • Benzoic sulfimide
  • o-Benzosulfimide
  • Benzosulfimide
  • Saccharimide
  • o-Sulfobenzimide
  • 81-07-2

  • o-Benzoic sulfimide
  • Saccharine
  • saccharin

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Saccharin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of saccharin?
C7H5NO3S
How many atoms and what are the elements included the saccharin molecule?
17 atom(s) - 5 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 saccharin structure?
18 bond(s) - 13 non-H bond(s), 9 multiple bond(s), 3 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), and 1 sulfonamide(s) (thio-/dithio-)
What’s the saccharin’s molecular weight?
183.1845 g/mol
What’s the SMILES code of saccharin?
O=C1NS(=O)(=O)c2ccccc12
What’s the InChI string of saccharin?
InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
What’s the InChIKey code of saccharin?
CVHZOJJKTDOEJC-UHFFFAOYSA-N

8041 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).