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Molecule
Phosphorus Sulfide (P4S7)
CAS: 12037-82-0 · PS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12037-82-0
- Molecular Formula
- PS
- Molecular Mass
- 63.04 g/mol
Identifiers
CAS Registry Number
12037-82-0
SMILES
[P].[S]
InChI Key
QCJQWJKKTGJDCM-UHFFFAOYSA-N
InChI
InChI=1S/P.S
Names and Synonyms
- Phosphorus Sulfide (P4S7) Synonym
- Phosphorus sulfide (P4S7) Synonym
- Tetraphosphorus heptasulfide 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 | |
| Canonical SMILES | [P].[S] | CAS Common Chemistry |
| InChI | InChI=1S/P.S | CAS Common Chemistry |
| InChI Key | InChIKey=QCJQWJKKTGJDCM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phosphorus sulfide (P4S7) | 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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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 63.04 g/mol. Edit any field — others recompute live.
