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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.

External Resources

All Properties

Comprehensive physical and chemical properties

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

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

Physical Properties

Property Value Source
LogP 14.109199999999971 RDKit
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

Molar

Property Value Source
Molar Refractivity 207.5689999999991 RDKit

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