Tetrakis(hydroxymethyl)phosphonium sulfate

Name: Tetrakis(hydroxymethyl)phosphonium sulfate (CAS 55566-30-8) — set di dati chimici completo
Creator: MolGod.org
License: https://molgod.org/copyright/#data

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

Informazioni su Tetrakis(hydroxymethyl)phosphonium sulfate

Tetrakis(hydroxymethyl)phosphonium sulfate è un composto chimico registrato con il numero CAS 55566-30-8, con formula bruta C₈H₂₄O₁₂P₂S, e massa molare di 406.28 g/mol.

La molecola contiene 47 atomi collegati da 44 legami chimici. Il nome sistematico IUPAC completo di questo composto è bis(tetrakis(hydroxymethyl)phosphanium);sulfate. Il modello 3D interattivo qui sopra permette di visualizzare la disposizione spaziale degli atomi — puoi ruotarlo con il mouse, zoomare con la rotellina e passare tra le modalità di visualizzazione scheletro / Ball & Stick / Space Fill.

Dal punto di vista delle proprietà chimico-fisiche, superficie polare PSA = 250 Å², 8 donatori e 12 accettori di legami a idrogeno. Questi parametri sono fondamentali per valutare la biodisponibilità e l'interazione con le biomolecole.

I dati chimici di questo composto provengono da PubChem (NIH NLM NCBI), uno dei più grandi database chimici al mondo. Tutte le informazioni sono aggiornate automaticamente e arricchite con le traduzioni delle indicazioni di pericolo GHS conformi al Regolamento CLP (CE 1272/2008). Il modello 3D interattivo e le immagini del visualizzatore sono protetti dal diritto d’autore (© MolGod.org) — condizioni d’uso: molgod.org/copyright/.

Proprietà chimico-fisiche

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 ↗

Sicurezza GHS

Avvertenza: Pericolo

GHS05

GHS06

GHS07

GHS09

H317 — Può provocare una reazione allergica cutanea.

H318 — Provoca gravi lesioni oculari.

H400 — Molto tossico per gli organismi acquatici.

H301 — Tossico se ingerito.

Letteratura scientifica

Related literature

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

📈 Cronologia delle pubblicazioni (numero di articoli: 6)

Altezza della barra = numero di articoli nell'anno. Passa il cursore su una barra per vedere i dettagli.

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 ↗

🔓

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 ↗

🔓

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.

Sinonimi

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)

Fonti dei dati

📊 PubChem CID 41478 — NIH
🔬 NIST WebBook — spettroscopia
🌐 Wikidata
💊 ChEMBL — bioattività

Molecole correlate

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

📜 Licenza e provenienzaPREDICTED 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

Scarica il modello 3D · 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

Scarica il modello 3D

Modello: Tetrakis(hydroxymethyl)phosphonium sulfate · 55566-30-8
InChIKey: YIEDHPBKGZGLIK-UHFFFAOYSA-L
Licenza: CC BY-SA 4.0 International (diritti sulla fonte indeterminati — non ancora concessa)
Attribuzione: MolGod Scientific — Tetrakis(hydroxymethyl)phosphonium sulfate (CAS 55566-30-8)
Scheda di licenza e provenienza: Tetrakis(hydroxymethyl)phosphonium sulfate (CAS 55566-30-8) →
Scheda molecolare MolGod: Tetrakis(hydroxymethyl)phosphonium sulfate →
Dati di origine: PubChem CID 41478 ↗
Informazioni sul modello: STL generato da MolGod · MolGod STL Exporter build 48804cd20b0d · generato il 2026-10-14
SHA-256 (STL): 5eab04846c8c9b99ffc94d1bc568d9fd2347df271f49f7e309e1a69770ddd2d5
MD5 (STL): f9967b2371bdccfe4eb08c8df806cfad
Identificativo del modello: MG-STL-55566-30-8
Trasformazione: Mesh a sfere e bastoncini MolGod Scientific
Modifiche: PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons: non ancora pubblicato

📄 Scarica il modello 3D (950 KB)📄 Scarica il modello 3D · ENGRAVED · C H O P S · (27 MB)

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