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Molecule
Tetrakis(Hydroxymethyl)Phosphonium Sulfate
CAS: 55566-30-8 · C4H12O8PS-
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 55566-30-8
- Molecular Formula
- C4H12O8PS-
- Molecular Mass
- 251.17 g/mol
Identifiers
CAS Registry Number
55566-30-8
SMILES
O=S(=O)([O-])[O-].OC[P+](CO)(CO)CO
InChI Key
HFDZMBPIARIWLN-UHFFFAOYSA-L
InChI
InChI=1S/C4H12O4P.H2O4S/c5-1-9(2-6,3-7)4-8;1-5(2,3)4/h5-8H,1-4H2;(H2,1,2,3,4)/q+1;/p-2
Names and Synonyms
- Tetrakis(Hydroxymethyl)Phosphonium Sulfate Common Name
- Phosphonium, tetrakis(hydroxymethyl)-, sulfate (2:1) Synonym
- Phosphonium, tetrakis(hydroxymethyl)-, sulfate (2:1) (salt) Synonym
- Tetrakis(hydroxymethyl)phosphonium sulfate Synonym
- Pyroset TKO Synonym
- THPS Synonym
- Octakis(hydroxymethyl)diphosphonium sulfate Synonym
- THPS 75 Synonym
- Bis[tetrakis(hydroxymethyl)phosphonium] sulfate Synonym
- Retardol S Synonym
- Proban NX Synonym
- Tolcide PS Synonym
- Tolcide PS 75 Synonym
- Tolcide PS 200 Synonym
- Tolcide Synonym
- Magnacide 575 Synonym
- Bis[tetra(hydroxymethyl)phosphonium] sulfate Synonym
- Aqucar THPS 75 Synonym
- Pyroset TKOW Synonym
- Tolcide 20A Synonym
- Tolcide 70A Synonym
- Eccoshield FR 101 Synonym
- Bricorr 75 Synonym
- Odycide B 320 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 251.17 g/mol | CAS Common Chemistry |
| 251.17299999999994 g/mol | RDKit | |
| 251.173 g/mol | RDKit | |
| 251.166 g/mol | chempirical lib | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.41 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)([O-])[O-].OC[P+](CO)(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C4H12O4P.H2O4S/c5-1-9(2-6,3-7)4-8;1-5(2,3)4/h5-8H,1-4H2;(H2,1,2,3,4)/q+1;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=HFDZMBPIARIWLN-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Tetrakis(hydroxymethyl)phosphonium sulfate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 161.18 Ų | RDKit |
| LogP | -2.5347999999999993 | RDKit |
| -2.5348 | RDKit | |
| Molar Refractivity | 45.73780000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -1 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 250.99959855391003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 251.17 g/mol; density = 1.410 g/mL. Edit any field — others recompute live.
