Tetrakis(hydroxymethyl)phosphonium sulfate

CAS 55566-30-8 · C₈H₂₄O₁₂P₂S · MW 406.28 g/mol

About Tetrakis(hydroxymethyl)phosphonium sulfate

Tetrakis(hydroxymethyl)phosphonium sulfate is a chemical compound registered under number CAS 55566-30-8, with the molecular formula C₈H₂₄O₁₂P₂S, and a molar mass of 406.28 g/mol.

The molecule contains 47 atoms connected by 44 chemical bonds. The full systematic IUPAC name of this compound is bis(tetrakis(hydroxymethyl)phosphanium);sulfate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 250 Å², 8 donors and 12 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties

Molecular formula	C₈H₂₄O₁₂P₂S
Molar mass	406.28 g/mol
IUPAC	bis(tetrakis(hydroxymethyl)phosphanium);sulfate
SMILES	`C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-]`
InChIKey	`YIEDHPBKGZGLIK-UHFFFAOYSA-L`
logP (XLogP3)	—
PSA	250 Å²
HBD / HBA	8 / 12
PubChem CID	CID 41478 ↗

GHS safety

Signal word: Danger

GHS05

GHS06

GHS07

GHS09

H317 — May cause an allergic skin reaction

H318 — Causes serious eye damage

H400 — Very toxic to aquatic life

H301 — Toxic if swallowed

Scientific literature

Related literature

6 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (number of articles: 6)

Bar height = number of articles in a given year. Hover over a bar to see details.

NTP Toxicology and Carcinogenesis Studies of Tetrakis(hydroxymethyl)phosphonium sulfate (THPS) (CAS No. 55566-30-8) and Tetrakis(hydroxymethyl)phosphonium chloride (THPC) (CAS No. 124-64-1) in F344/N Rats and B6C3F1 Mice (Gavage Studies).

(1987)

Cytowania: 1$ PaywallPubMed ↗

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The development of chrome free chestnut and Tetrakis Hydroxymethyl Phosphonium Sulfate based Eco-benign combination tanning system

Haftom Girmay, Ashagrie Mengistu, Berhanu Assefa et al. (2024) · Heliyon

Cytowania: 5Open AccessDOI ↗PDF ↗

Impacts of Tetrakis-hydroxymethyl Phosphonium Sulfate (THPS) Based Biocides on the Functional Group Activities of Some Oil Field Microorganisms Associated with Corrosion and Souring

Okoro Conlette (2014) · British Microbiology Research Journal

Cytowania: 22$ PaywallDOI ↗

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Sub-minimum inhibitory concentration of tetrakis(hydroxymethyl)phosphonium sulfate enhances biocorrosion of carbon steel by Pseudomonas aeruginosa

Hassan Tirandaz, Seyed Mohammad Mehdi Dastgheib, Javad Hamedi (2024) · Scientific Reports

Cytowania: 3Open AccessDOI ↗PDF ↗

🔓

Optimized O3/Fe(II) Using Response Surface Methodology for Organic Phosphorus Removal in Tetrakis(hydroxymethyl)phosphonium Sulfate Wastewater

Yangbin Peng, Hongbin Xu, Yaohua Li et al. (2022) · Sustainability

Cytowania: 5Open AccessDOI ↗PDF ↗

A high-molecular-weight flame retardant derived from bis[tetrakis(hydroxymethyl)phosphonium] sulfate for cotton fabrics

Shuo Diao, Mengxiao Liang, Yonghua Lu et al. (2025) · Polymer Degradation and Stability

Cytowania: 4$ PaywallDOI ↗

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms

TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM SULFATE · 55566-30-8 · Retardol S · Pyroset TKO · CCRIS 316 · HSDB 4215 · Octakis(hydroxymethyl)phosphonium sulfate · NCI-C55050 · UNII-5I8RSL9E6S · EINECS 259-709-0 · 5I8RSL9E6S · Bis(tetrakis(hydroxymethyl)phosphonium)sulfate (salt) · bis[tetrakis(hydroxymethyl)phosphonium] sulfate · Phosphonium, tetrakis(hydroxymethyl)-, sulfate (2:1) (salt) · Phosphonium, tetrakis(hydroxymethyl)-, sulfate (2:1)

Data sources

📊 PubChem CID 41478 — NIH
🔬 NIST WebBook — spectroscopy
🌐 Wikidata
💊 ChEMBL — bioactivity

Related molecules

1,3,5-tris(oxiranylmethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione (CAS 2451-62-9) CAS 2451-62-9 · C12H15N3O6 2,3-epoxypropan-1-ol (CAS 556-52-5) CAS 556-52-5 · C3H6O2 Divanadium pentaoxide (CAS 1314-62-1) CAS 1314-62-1 · O₅V₂ Benomyl (CAS 17804-35-2) CAS 17804-35-2 · C14H18N4O3 1-phenylethylamine (CAS 618-36-0) CAS 618-36-0 · C8H11N Dopamine (CAS 51-61-6) CAS 51-61-6 · C8H11NO2

📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1

PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 3 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references

RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/41478
Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)

ENGRAVEDNORMAL

Tetrakis(hydroxymethyl)phosphonium sulfate (CAS 55566-30-8), C₈H₂₄O₁₂P₂S - 3D ball-and-stick molecular model, engraved element symbols (C H O P S), MolGod STL preview

MG-STL-55566-30-8-ENGRAVED · 571,806 △ · 27 MB · SHA-256 3db5d09deb68cd88

Download 3D model · ENGRAVED · C H O P S

Tetrakis(hydroxymethyl)phosphonium sulfate (CAS 55566-30-8), C₈H₂₄O₁₂P₂S - 3D ball-and-stick molecular model, MolGod STL preview

MG-STL-55566-30-8-NORMAL · 19,456 △ · 950 KB · SHA-256 5eab04846c8c9b99

Download 3D model

Model: Tetrakis(hydroxymethyl)phosphonium sulfate · 55566-30-8
InChIKey: YIEDHPBKGZGLIK-UHFFFAOYSA-L
License: CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution: MolGod Scientific — Tetrakis(hydroxymethyl)phosphonium sulfate (CAS 55566-30-8)
License & provenance record: Tetrakis(hydroxymethyl)phosphonium sulfate (CAS 55566-30-8) →
MolGod molecule record: Tetrakis(hydroxymethyl)phosphonium sulfate →
Source data: PubChem CID 41478 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 5eab04846c8c9b99ffc94d1bc568d9fd2347df271f49f7e309e1a69770ddd2d5
MD5 (STL): f9967b2371bdccfe4eb08c8df806cfad
Model identifier: MG-STL-55566-30-8
Transformation: MolGod Scientific ball-and-stick mesh
Changes: PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons: not published yet

📄 Download 3D model (950 KB)📄 Download 3D model · ENGRAVED · C H O P S · (27 MB)

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.