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Molecule
Molybdenum Disulfide
CAS: 1317-33-5 · MoS2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1317-33-5
- Molecular Formula
- MoS2
- Molecular Mass
- 160.074 g/mol
Identifiers
CAS Registry Number
1317-33-5
SMILES
[Mo].[S].[S]
InChI Key
CWQXQMHSOZUFJS-UHFFFAOYSA-N
InChI
InChI=1S/Mo.2S
Names and Synonyms
- Molybdenum Disulfide Common Name
- Molybdenum sulfide (MoS2) Synonym
- Molybdenum disulfide Synonym
- Molybdenum(IV) sulfide Synonym
- Molybdenum disulfide (MoS2) Synonym
- DAG 325 Synonym
- Molykote Synonym
- Mopol S Synonym
- Mopol M Synonym
- DAG-V 657 Synonym
- Motimol Synonym
- DAG 206 Synonym
- Molysulfide Synonym
- Liqui-Moly LM 2 Synonym
- DM 1 Synonym
- MD 40 (lubricant) Synonym
- MD 40 Synonym
- Moly Powder C Synonym
- Molybdenum sulfide Synonym
- Moly Powder PA Synonym
- Moly Powder B Synonym
- Liqui-Moly LM 11 Synonym
- Moly Powder PS Synonym
- Molybdenum bisulfide Synonym
- Moly Powder PB Synonym
- C.I. Pigment Black 34 Synonym
- C.I. 77770 Synonym
- Pigment Black 34 Synonym
- Sumipowder PA Synonym
- Molykote Z Synonym
- LM 13 Synonym
- LM 13 (lubricant) Synonym
- DM 1 (sulfide) Synonym
- Solvest 390A Synonym
- Nichimoly C Synonym
- T-Powder Synonym
- Molycolloid CF 626 Synonym
- Molykote Microsize Powder Synonym
- Molyka R Synonym
- M 5 Synonym
- M 5 (lubricant) Synonym
- PA Powder Synonym
- Powder PA Synonym
- A Powder Synonym
- Moly Fine Powder Y Synonym
- NeoZ Synonym
- Molyka R-L 3 Synonym
- Molybdenum sulphide (MoS2) Synonym
- UP 10 Synonym
- UP 50 Synonym
- Molyform 15 Synonym
- MVCh 1 Synonym
- Defric coat HMB 2 Synonym
- C-Powder Synonym
- DMI 7 Synonym
- OKS 110 Synonym
- Molykote Z Powder Synonym
- Liqui-Moly Z Powder Synonym
- MIPO-M 15 Synonym
- MF 000 Synonym
- RAC 01 Synonym
- M 5 Powder Synonym
- ZBM 52-999 Synonym
- McLube MoS2 98 Synonym
- McLube MoS2 100 Synonym
- McLube MoS2 99 Synonym
- ZWEZ-Lube MD 210 Synonym
- L-GPM 210 Synonym
- XT 0808-2-2 Synonym
- XF 184-1 Synonym
- XF 209 Synonym
- Liqui-Moly LM 12 Synonym
- ZBY 801 Synonym
- HD 7352 Synonym
- XT 0805-3-1 Synonym
- LM 12 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 5.06 g/cm³ | CAS Common Chemistry |
| 5.06 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Molybdenum_disulfide | CAS Common Chemistry |
| Canonical SMILES | S=[Mo]=S | CAS Common Chemistry |
| InChI | InChI=1S/Mo.2S | CAS Common Chemistry |
| InChI Key | InChIKey=CWQXQMHSOZUFJS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2375 °C | CAS Common Chemistry |
| Name | Molybdenum disulfide | CAS Common Chemistry |
| Molecular Mass | 160.074 g/mol | RDKit |
| 161.84955019999998 g/mol | RDKit | |
| 166.118 g/mol | chempirical lib | |
| 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 | 160.07 g/mol | CAS Common Chemistry |
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 |
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200 ppm
180
160
140
120
100
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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 = 160.07 g/mol; density = 5.060 g/mL. Edit any field — others recompute live.
