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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 Weight:
683.1809999999996 g/mol
Names and Synonyms:
Distearyl Thiodipropionate
Irganox PS 802FL
Hostanox SE 4
Evanstab 18
Thio 1
Varox DSTDP
Antiox S
Seenox DS
Sumilizer TPS
Arbestab DSTDP
Naugard DSTDP
Lusmit SS
Hostanox SE 2
DSTP
Irganox PS 802
Yoshinox DSTDP
Hostanox VP-SE 2
DSTDP
Cyanox STDP
Distearyl β-thiodipropionate
Advastab 802
Dioctadecyl 3,3′-thiodipropionate
Plastanox STDP
Stearyl 3,3′-thiodipropionate
Dioctadecyl thiodipropionate
Advastab PS 802
Plastanox STDP Antioxidant
PS 802
Distearyl 3,3′-thiodipropionate
Distearyl β,β′-thiodipropionate
Distearyl thiodipropionate
Propanoic acid, 3,3′-thiobis-, dioctadecyl ester
Propionic acid, 3,3′-thiodi-, dioctadecyl ester
Propanoic acid, 3,3′-thiobis-, 1,1′-dioctadecyl ester
Jyanox DSTDP
Mark DSTDP
Rianox DSTP
Antioxidant DSTDP
Arenox DS
AO 180T
Antioxidant DSTP
Lasumit SG
Songnox DSTDP
Irganox PS 802FD
DSTP Yoshitomi
Cyanox OTDP
Antioxidant 802
Irganox 802FD
PS 802FL
Lowinox DSTDP
Yoshinox DSTP
Carstab DSTDP
Negonox DSTP
Distearyl-3,3-thiodipropionate
NSC 65493
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 683.18 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OCCCCCCCCCCCCCCCCCC)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=PWWSSIYVTQUJQQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 60 °C None | Legacy Database |
| cas-name | Distearyl thiodipropionate None | Legacy Database |
| LogP | 14.109199999999971 | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 40 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 207.5689999999991 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 683.1809999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 682.5933821039999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 47 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
