Structure & Deep Data of Citiolone (C6H9NO2S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The citiolone molecule contains a total of 19 bond(s). There are 10 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 thioester(s) (aliphatic). Images of the chemical structure of citiolone are given below:

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

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Additional Information for Identifying Citiolone Molecule

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

  The SMILES string of citiolone is CC(=O)NC1CCSC1=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the citiolone.

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

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

• Chemical formula of citiolone

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

• Molecular weight of citiolone

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

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

  • 34148-12-4
  • 2-ACETAMIDO-4-MERCAPTOBUTYRIC ACID G-THIOLACTONE
  • 2-Acetamido-4-mercaptobutyric acid .gamma.-thiolactone
  • 2-Acetamide-4-mercaptobutyric acid .gamma.-thiolactone
  • I14-11945
  • BRD-A57957888-001-01-5
  • SR-01000872700-2
  • J-011416
  • I04-0035
  • 2-Acetamido-4-mercaptobutyric acid I(3)-thiolactone

  • 2-Acetamido-4-mercaptobutyric acid beta-thiolactone
  • C-03925
  • 2-Acetamido-4-mercaptobutyric acid $g-thiolactone
  • K-5482
  • D07105
  • DL-3-(Acetylamino)tetrahydro-2-thiophenone
  • 2-acetamido-4-mercaptobutyricacidthiolactone
  • n-(tetrahydro-2-oxo-3-thienyl)-acetamid
  • DL-N-Acetylhomocysteine thiolactone, 98%
  • N-(2-Oxotetrahydro-3-thienyl)acetamide

  • CCG-213865
  • MFCD00005480
  • ANW-17339
  • N-Acetyl-DL-homocystein Thiolactone
  • HY-B0931
  • Pharmakon1600-01503205
  • HMS2097A09
  • HMS1570A09
  • dl-N-Acetylhomocysteinethiolactone
  • N-(2-oxo-3-thiolanyl)acetamide

  • n-acetylhomocysteinethiolactone
  • 2-Thiolanone, 3-acetamido-
  • bo714
  • Acetamide, N-[(3S)-tetrahydro-2-oxo-3-thienyl]-
  • BILE SAC POWDER
  • CAS-1195-16-0
  • Citiolone (INN)
  • N-Acetyl-DL-homocystein thiolacton
  • Reducdyn
  • Citiolone [INN:DCF]

  • N-(2-oxo-3-3,4,5-trihydrothienyl)acetamide
  • Sitilon
  • Mucorex
  • Citiolona
  • Citiolonum
  • (1)-N-(Tetrahydro-2-oxothien-3-yl)acetamide
  • .alpha.-Acetamido-.gamma.-thiobutyrolactone
  • N-Acetylhomocysteinthiolakton [German]
  • N-(TETRAHYDRO-2-OXO-3-THIENYL)-ACETAMIDE
  • N-(Tetrahydro-2-oxothienyl)acetamide

  • alpha-Acetamido-gamma-thiobutyrolactone
  • 2-Acetamido-4-mercaptobutyric acid thiolactone
  • N-Acetylhomocysteinthiolakton
  • C6H9NO2S
  • 2-Acetamido-4-mercaptobutyric acid gamma-thiolactone
  • Citiolona [INN-Spanish]
  • N-(TETRAHYDRO-2-OXO-3-THIENYL)ACETAMIDE
  • Citiolonum [INN-Latin]
  • cythiolone
  • BO 714

  • N-Acetyl-dl-homocysteine thiolactone
  • N-Acetylhmocysteinethiolactone
  • N-(2-Oxotetrahydrothiophen-3-yl)acetamide
  • 3-Acetamidotetrahydro-2-thiophenone
  • DL-N-Acetylhomocysteine thiolactone
  • Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-
  • N-Acetylhomocysteine thiolactone
  • AHCT
  • Achtl
  • 17896-21-8

  • Ahctl
  • Thioxidrene
  • Citiolase
  • 1195-16-0
  • citiolone

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Citiolone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of citiolone?
C6H9NO2S
How many atoms and what are the elements included the citiolone molecule?
19 atom(s) - 9 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the citiolone structure?
19 bond(s) - 10 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 thioester(s) (aliphatic)
What’s the citiolone’s molecular weight?
159.20616 g/mol
What’s the SMILES code of citiolone?
CC(=O)NC1CCSC1=O
What’s the InChI string of citiolone?
InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)
What’s the InChIKey code of citiolone?
NRFJZTXWLKPZAV-UHFFFAOYSA-N

29 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).