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Molecule
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
Identifiers
CAS Registry Number
12138-09-9
SMILES
[S].[S].[W]
InChI Key
ITRNXVSDJBHYNJ-UHFFFAOYSA-N
InChI
InChI=1S/2S.W
Names and Synonyms
- Tungsten Disulfide Synonym
- Tungsten sulfide (WS2) Synonym
- Tungsten disulfide Synonym
- Monotungsten disulfide Synonym
- Tungsten disulfide (WS2) Synonym
- Tungsten sulfide Synonym
- Wolfram sulfide Synonym
- Nano-Lub Synonym
- WS 2A Synonym
- Tungmic B Synonym
- FWD 430L Synonym
- Tribotecc WS 2 Synonym
- Tribotecc WS 5 Synonym
- Austro Tecc WS 2 Synonym
- Nanolub R Synonym
- Tungmic A Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 247.97 g/mol | CAS Common Chemistry |
| 247.974 g/mol | RDKit | |
| 254.008 g/mol | chempirical lib | |
| Density | 7.75 g/cm³ | CAS Common Chemistry |
| 7.75 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 247.8950732 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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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.
External Resources
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MW = 247.97 g/mol; density = 7.750 g/mL. Edit any field — others recompute live.
