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Phosphorus Sulfide (P4S7)
CAS: 12037-82-0 | PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12037-82-0
Molecular Formula:
PS
Molecular Weight:
63.041 g/mol
Names and Synonyms:
Phosphorus Sulfide (P4S7)
Phosphorus sulfide (P4S7)
Tetraphosphorus heptasulfide
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
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 |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 63.041 g/mol | RDKit |
| Exact | Exact Molecular Weight | 62.94583263 g/mol | RDKit |
| Heavy | Heavy Atom Count | 2 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Physical Properties | LogP | 1.5093999999999999 | RDKit |
| molecular_mass | 63.04 g/mol | Legacy Database | |
| cas-canonical-smile | [P].[S] | Legacy Database | |
| cas-inchi | InChI=1S/P.S | Legacy Database | |
| cas-inchi-key | InChIKey=QCJQWJKKTGJDCM-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Phosphorus sulfide (P4S7) | Legacy Database | |
| Molar | Molar Refractivity | 14.511 | RDKit |
