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Molecule
Phosphorus Pentasulfide
CAS: 1314-80-3 · PS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1314-80-3
- Molecular Formula
- PS
- Molecular Mass
- 63.04 g/mol
Identifiers
CAS Registry Number
1314-80-3
SMILES
[P].[S]
InChI Key
QCJQWJKKTGJDCM-UHFFFAOYSA-N
InChI
InChI=1S/P.S
Names and Synonyms
- Phosphorus Pentasulfide Common Name
- Phosphorus sulfide (P2S5) Synonym
- Phosphoric sulfide Synonym
- Phosphorus pentasulfide Synonym
- Phosphorus persulfide Synonym
- Thiophosphoric anhydride Synonym
- Phosphorus pentasulfide (P2S5) Synonym
- Phosphorus sulfide (P4S10) Synonym
- Tetraphosphorus decasulfide Synonym
- Phosphorus pentasulfide (P4S10) Synonym
- Diphosphorus pentasulfide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 63.04 g/mol | CAS Common Chemistry |
| 63.041 g/mol | RDKit | |
| 68.074 g/mol | chempirical lib | |
| Density | 2.06 g/cm³ | CAS Common Chemistry |
| 2.062 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosphorus_pentasulfide | CAS Common Chemistry |
| Boiling Point | 513-515 °C | CAS Common Chemistry |
| Canonical SMILES | [P].[S] | CAS Common Chemistry |
| InChI | InChI=1S/P.S | CAS Common Chemistry |
| InChI Key | InChIKey=QCJQWJKKTGJDCM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 286-290 °C | CAS Common Chemistry |
| Name | Phosphorus sulfide (P2S5) | CAS Common Chemistry |
| Heavy Atom Count | 2 | 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 | 1.5093999999999999 | RDKit |
| 1.5094 | RDKit | |
| 1.51 | chempirical lib | |
| Molar Refractivity | 14.511 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 62.94583263 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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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.
External Resources
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Quick conversion
MW = 63.04 g/mol; density = 2.060 g/mL. Edit any field — others recompute live.
