Distearyl Thiodipropionate

CAS 693-36-7  ·  C42H82O4S  ·  MW 683.2 g/mol

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3D model Distearyl Thiodipropionate, CAS 693-36-7, molecular formula C42H82O4S, molar mass 683.2 g/mol
About Distearyl Thiodipropionate

Distearyl Thiodipropionate is a chemical compound registered under number CAS 693-36-7, with the molecular formula C42H82O4S, and a molar mass of 683.2 g/mol.

The molecule contains 129 atoms connected by 128 chemical bonds. The full systematic IUPAC name of this compound is octadecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate. 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, the partition coefficient logP = 18.2 (positive value, a lipophilic compound), polar surface area PSA = 77.9 Ų, 0 donors and 5 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 formulaC42H82O4S
Molar mass683.2 g/mol
IUPACoctadecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC
InChIKeyPWWSSIYVTQUJQQ-UHFFFAOYSA-N
logP (XLogP3)18.2
PSA77.9 Ų
HBD / HBA0 / 5
PubChem CIDCID 12738 ↗
Scientific literature

Brak articles naukowych dla CAS 693-36-7 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
DISTEARYL THIODIPROPIONATE · Dioctadecyl 3,3'-thiodipropionate · Dioctadecyl thiodipropionate · Plastanox STDP · Antioxidant STDP · Distearyl 3,3'-thiodipropionate · Cyanox STDP · Advastab 802 · DSTDP · Advastab PS 802 · Sumilizer TPS · Irganox PS 802 · Arbestab DSTDP · Lusmit SS · Seenox DS
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors

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.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. 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
  3. 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
  4. 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
  5. 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
  6. 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
  7. 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/12738
  8. 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)
Distearyl Thiodipropionate (CAS 693-36-7), C42H82O4S - 3D ball-and-stick molecular model, engraved element symbols (C H O S), MolGod STL previewDownload image

MG-STL-693-36-7-ENGRAVED · 1,392,778 △ · 66 MB · SHA-256 f4ca54d2b4736e72

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Distearyl Thiodipropionate (CAS 693-36-7), C42H82O4S - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-693-36-7-NORMAL · 53,760 △ · 3 MB · SHA-256 df974beb71db8b33

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Model
Distearyl Thiodipropionate · 693-36-7
InChIKey
PWWSSIYVTQUJQQ-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Distearyl Thiodipropionate (CAS 693-36-7)
License & provenance record
Distearyl Thiodipropionate (CAS 693-36-7) →
MolGod molecule record
Distearyl Thiodipropionate →
Source data
PubChem CID 12738 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
df974beb71db8b3334c672c78d0988112f064589f413ae3f9349f02d30316afc
MD5 (STL)
f562f0d397a62c309569cd90cae4dd09
Model identifier
MG-STL-693-36-7
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

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

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