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Structure & Deep Data of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione (C5H8NO3PS)

Identification of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione Chemical Compound

2D chemical structure image of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione
Chemical Formula C5H8NO3PS
Molecular Weight 193.16068 g/mol
IUPAC Name (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione
SMILES String CC1CCOP(=S)(O1)N=C=O
InChI InChI=1S/C5H8NO3PS/c1-5-2-3-8-10(11,9-5)6-4-7/h5H,2-3H2,1H3/t5-,10+/m1/s1
InChIKey QCRHXERFDRAVTR-FWOIEVBISA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione molecule contains a total of 19 bond(s). There are 11 non-H bond(s), 3 multiple bond(s), 1 rotatable bond(s), 3 double bond(s), and 1 six-membered ring(s). Images of the chemical structure of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione are given below:

2D chemical structure image of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione
2-dimensional (2D) chemical structure image of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione
3D chemical structure image of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione
3-dimensional (3D) chemical structure image of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione

The 2D chemical structure image of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione 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 (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione. Download structure data file (SDF/MOL) file of this compound.


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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione is provided here.

The (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


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Additional Information for Identifying (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione Molecule

  • Other names (synonyms) or registry numbers of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione

    The (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione including the various registry numbers, if available:



    None available.


(2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione?
C5H8NO3PS
How many atoms and what are the elements included the (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione molecule?
19 atom(s) - 8 Hydrogen atom(s), 5 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), 1 Phosphorous atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione structure?
19 bond(s) - 11 non-H bond(s), 3 multiple bond(s), 1 rotatable bond(s), 3 double bond(s), and 1 six-membered ring(s)
What’s the (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione’s molecular weight?
193.16068 g/mol
What’s the SMILES code of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione?
CC1CCOP(=S)(O1)N=C=O
What’s the InChI string of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione?
InChI=1S/C5H8NO3PS/c1-5-2-3-8-10(11,9-5)6-4-7/h5H,2-3H2,1H3/t5-,10+/m1/s1
What’s the InChIKey code of (2S,4R)-2-isocyanato-4-methyl-1,3,2$l^{5}-dioxaphosphinane-2-thione?
QCRHXERFDRAVTR-FWOIEVBISA-N

39 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).

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