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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 Weight:
63.041 g/mol
Names and Synonyms:
Phosphorus Pentasulfide
Common Name
Diphosphorus pentasulfide
Synonym
Phosphorus pentasulfide (P4S10)
Synonym
Tetraphosphorus decasulfide
Synonym
Phosphorus sulfide (P4S10)
Synonym
Phosphorus pentasulfide (P2S5)
Synonym
Thiophosphoric anhydride
Synonym
Phosphorus persulfide
Synonym
Phosphorus pentasulfide
Synonym
Phosphoric sulfide
Synonym
Phosphorus sulfide (P2S5)
Synonym
Identifiers:
SMILES:
[P].[S]
InChI:
InChI=1S/P.S
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 63.041 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 62.94583263 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.5093999999999999 | RDKit |
| molecular_mass | 63.04 g/mol | Legacy Database |
| density | 2.06 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Phosphorus_pentasulfide None | Legacy Database |
| cas-boiling-point | 513-515 °C None | Legacy Database |
| cas-canonical-smile | [P].[S] None | Legacy Database |
| cas-density | 2.062 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/P.S None | Legacy Database |
| cas-inchi-key | InChIKey=QCJQWJKKTGJDCM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 286-290 °C None | Legacy Database |
| cas-name | Phosphorus sulfide (P2S5) None | Legacy Database |
| wikipedia-name | Phosphorus pentasulfide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 14.511 | RDKit |