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Phosphorus Pentasulfide
CAS: 1314-80-3 | PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1314-80-3
Molecular Formula:
PS
Molecular Mass:
63.04 g/mol
Names and Synonyms:
Phosphorus Pentasulfide
Phosphorus sulfide (P2S5)
Phosphoric sulfide
Phosphorus pentasulfide
Phosphorus persulfide
Thiophosphoric anhydride
Phosphorus pentasulfide (P2S5)
Phosphorus sulfide (P4S10)
Tetraphosphorus decasulfide
Phosphorus pentasulfide (P4S10)
Diphosphorus pentasulfide
Identifiers:
SMILES:
[P].[S]
InChI:
InChI=1S/P.S
Key Properties
Boiling Point
513-515 °C
CAS Common Chemistry
Melting Point
286-290 °C
CAS Common Chemistry
Density
2.06 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 | 63.04 g/mol | CAS Common Chemistry |
| 63.041 g/mol | RDKit | |
| 62.94583263 g/mol | RDKit | |
| 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 |
| Phosphorus pentasulfide | 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 |
| Molar Refractivity | 14.511 | RDKit |
