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Tungsten Disulfide
CAS: 12138-09-9 | S2W
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12138-09-9
Molecular Formula:
S2W
Molecular Mass:
247.97 g/mol
Names and Synonyms:
Tungsten Disulfide
Tungsten sulfide (WS2)
Tungsten disulfide
Monotungsten disulfide
Tungsten disulfide (WS2)
Tungsten sulfide
Wolfram sulfide
Nano-Lub
WS 2A
Tungmic B
FWD 430L
Tribotecc WS 2
Tribotecc WS 5
Austro Tecc WS 2
Nanolub R
Tungmic A
Identifiers:
SMILES:
[S].[S].[W]
InChI:
InChI=1S/2S.W
Key Properties
Density
7.75 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 247.97 g/mol | CAS Common Chemistry |
| 247.974 g/mol | RDKit | |
| 247.8950732 g/mol | RDKit | |
| Density | 7.75 g/cm³ | CAS Common Chemistry |
| 7.75 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tungsten_disulfide | CAS Common Chemistry |
| Canonical SMILES | S=[W]=S | CAS Common Chemistry |
| InChI | InChI=1S/2S.W | CAS Common Chemistry |
| InChI Key | InChIKey=ITRNXVSDJBHYNJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tungsten disulfide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.2939 | RDKit |
| Molar Refractivity | 15.182 | RDKit |
