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Molecule
Distearyl Thiodipropionate
CAS: 693-36-7 · C42H82O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 693-36-7
- Molecular Formula
- C42H82O4S
- Molecular Mass
- 683.18 g/mol
Identifiers
CAS Registry Number
693-36-7
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC
InChI Key
PWWSSIYVTQUJQQ-UHFFFAOYSA-N
InChI
InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
Names and Synonyms
- Distearyl Thiodipropionate Common Name
- Antioxidant 802 Synonym
- NSC 65493 Synonym
- Distearyl-3,3-thiodipropionate Synonym
- Negonox DSTP Synonym
- Carstab DSTDP Synonym
- Yoshinox DSTP Synonym
- Lowinox DSTDP Synonym
- PS 802FL Synonym
- Irganox 802FD Synonym
- Cyanox OTDP Synonym
- DSTP Yoshitomi Synonym
- Irganox PS 802FD Synonym
- Songnox DSTDP Synonym
- Lasumit SG Synonym
- Antioxidant DSTP Synonym
- AO 180T Synonym
- Arenox DS Synonym
- Antioxidant DSTDP Synonym
- Rianox DSTP Synonym
- Mark DSTDP Synonym
- Jyanox DSTDP Synonym
- Propanoic acid, 3,3′-thiobis-, 1,1′-dioctadecyl ester Synonym
- Propionic acid, 3,3′-thiodi-, dioctadecyl ester Synonym
- Propanoic acid, 3,3′-thiobis-, dioctadecyl ester Synonym
- Distearyl thiodipropionate Synonym
- Distearyl β,β′-thiodipropionate Synonym
- Distearyl 3,3′-thiodipropionate Synonym
- PS 802 Synonym
- Plastanox STDP Antioxidant Synonym
- Advastab PS 802 Synonym
- Dioctadecyl thiodipropionate Synonym
- Stearyl 3,3′-thiodipropionate Synonym
- Plastanox STDP Synonym
- Dioctadecyl 3,3′-thiodipropionate Synonym
- Advastab 802 Synonym
- Distearyl β-thiodipropionate Synonym
- Cyanox STDP Synonym
- DSTDP Synonym
- Hostanox VP-SE 2 Synonym
- Yoshinox DSTDP Synonym
- Irganox PS 802 Synonym
- DSTP Synonym
- Hostanox SE 2 Synonym
- Lusmit SS Synonym
- Naugard DSTDP Synonym
- Arbestab DSTDP Synonym
- Sumilizer TPS Synonym
- Seenox DS Synonym
- Antiox S Synonym
- Varox DSTDP Synonym
- Thio 1 Synonym
- Evanstab 18 Synonym
- Hostanox SE 4 Synonym
- Irganox PS 802FL Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 683.18 g/mol | CAS Common Chemistry |
| 683.1809999999996 g/mol | RDKit | |
| 683.181 g/mol | RDKit | |
| 683.174 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OCCCCCCCCCCCCCCCCCC)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PWWSSIYVTQUJQQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 60 °C | CAS Common Chemistry |
| Name | Distearyl thiodipropionate | CAS Common Chemistry |
| Heavy Atom Count | 47 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 40 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
| 52.6 Ų | RDKit | |
| LogP | 14.109199999999971 | RDKit |
| 14.1092 | RDKit | |
| 15.47 | chempirical lib | |
| Molar Refractivity | 207.5689999999991 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9524 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 682.5933821039999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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 = 683.18 g/mol. Edit any field — others recompute live.
