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Molecule
Ao 412S
CAS: 29598-76-3 · C65H124O8S4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 29598-76-3
- Molecular Formula
- C65H124O8S4
- Molecular Mass
- 1161.97 g/mol
Identifiers
CAS Registry Number
29598-76-3
SMILES
CCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC
InChI Key
VSVVZZQIUJXYQA-UHFFFAOYSA-N
InChI
InChI=1S/C65H124O8S4/c1-5-9-13-17-21-25-29-33-37-41-49-74-53-45-61(66)70-57-65(58-71-62(67)46-54-75-50-42-38-34-30-26-22-18-14-10-6-2,59-72-63(68)47-55-76-51-43-39-35-31-27-23-19-15-11-7-3)60-73-64(69)48-56-77-52-44-40-36-32-28-24-20-16-12-8-4/h5-60H2,1-4H3
Names and Synonyms
- Ao 412S Synonym
- Propanoic acid, 3-(dodecylthio)-, 1,1′-[2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]-1,3-propanediyl] ester Synonym
- Propionic acid, 3-(dodecylthio)-, neopentanetetrayl ester Synonym
- Propanoic acid, 3-(dodecylthio)-, 2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]-1,3-propanediyl ester Synonym
- Pentaerythritol tetrakis(3-n-dodecylthiopropionate) Synonym
- Pentaerythritol tetrakis[3-(dodecylthio)propionate] Synonym
- Pentaerythritol tetrakis[3-laurylthiopropionate] Synonym
- Pentaerythritol tetrakis(β-laurylthiopropionate) Synonym
- Seenox 412S Synonym
- Pentaerythritol tetrakis(β-dodecylthiopropionate) Synonym
- Pentaerythritol tetrakis(dodecylthiopropionate) Synonym
- Sumilizer TP-D Synonym
- Mark AO 412S Synonym
- ADK Stab AO 412S Synonym
- AO 412S Synonym
- Tetrakis[methylene-3-(dodecylthio)propionate]methane Synonym
- AO-S 116 Synonym
- TP-D Synonym
- Naugard 412S Synonym
- TH 412S Synonym
- Chinox S 4P Synonym
- Antioxidant 412S Synonym
- Pentaerythritol tetra(3-laurylthiopropionate) Synonym
- PTLP Synonym
- Thanox 412S Synonym
- S 4P Synonym
- Adeka AO 412S Synonym
- Pentaerythrithol tetrakis(3-dodecylthiopropionate) Synonym
- ADK Stab AAO 412S Synonym
- Adekastab AO 412S Synonym
- Pentaerythrityl tetrakis(3-laurylthiopropionate) Synonym
- Songnox 4120 Synonym
- 2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate] Synonym
- Rianox 412S Synonym
- Antioxidant S 4P Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1161.97 g/mol | CAS Common Chemistry |
| 1161.9669999999992 g/mol | RDKit | |
| 1161.967 g/mol | RDKit | |
| 1161.939 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC)CCSCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C65H124O8S4/c1-5-9-13-17-21-25-29-33-37-41-49-74-53-45-61(66)70-57-65(58-71-62(67)46-54-75-50-42-38-34-30-26-22-18-14-10-6-2,59-72-63(68)47-55-76-51-43-39-35-31-27-23-19-15-11-7-3)60-73-64(69)48-56-77-52-44-40-36-32-28-24-20-16-12-8-4/h5-60H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VSVVZZQIUJXYQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48-51 °C | CAS Common Chemistry |
| Name | AO 412S | CAS Common Chemistry |
| Heavy Atom Count | 77 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 64 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.20000000000002 Ų | RDKit |
| 105.2 Ų | RDKit | |
| LogP | 20.3224 | RDKit |
| Molar Refractivity | 341.41300000000047 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9385 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 1160.8179049280002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 1161.97 g/mol. Edit any field — others recompute live.
