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Molecule

Thiodiethylene Bis(3,5-Di-Tert-Butyl-4-Hydroxyhydrocinnamate)

CAS: 41484-35-9 · C38H58O6S

2D Structure

3D Structure

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Basic Information

CAS Registry Number
41484-35-9
Molecular Formula
C38H58O6S
Molecular Mass
642.94 g/mol

Identifiers

CAS Registry Number

41484-35-9

SMILES

CC(C)(C)c1cc(CCC(=O)OCCSCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

InChI Key

VFBJXXJYHWLXRM-UHFFFAOYSA-N

InChI

InChI=1S/C38H58O6S/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)13-15-31(39)43-17-19-45-20-18-44-32(40)16-14-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h21-24,41-42H,13-20H2,1-12H3

Names and Synonyms

  • Thiodiethylene Bis(3,5-Di-Tert-Butyl-4-Hydroxyhydrocinnamate) Systematic Name
  • Antioxidant 1035 Synonym
  • Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1′-(thiodi-2,1-ethanediyl) ester Synonym
  • Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, thiodi-2,1-ethanediyl ester Synonym
  • 2,2′-Thiodiethylene bis[3-(3,5-di-tert-butyl-4-hydroxyhydrocinnamate] Synonym
  • Thiodiethylene glycol bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] Synonym
  • 2,2′-Thiodiethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] Synonym
  • Bis[2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyloxy]ethyl] sulfide Synonym
  • Bis[(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl-2-oxyethyl] sulfide Synonym
  • Irganox 1035 Synonym
  • Fenozan 30 Synonym
  • 3-Thia-1,5-pentanediol bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] Synonym
  • Irganox 1035FF Synonym
  • Thiodi(2,1-ethanediyl) bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] Synonym
  • Thiodiethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate) Synonym
  • Irganox L 1035 Synonym
  • Naugard EL 50 Synonym
  • 2-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid 2,2′-thiobisethanol diester Synonym
  • AO 75 Synonym
  • Durad AX 15 Synonym
  • Thiodiethylene glycol bis[β-(4-hydroxy-3,5-di(tert-butyl)phenyl)propionate] Synonym
  • Thiodiethylene glycol bis[β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] Synonym
  • IR 1035 Synonym
  • Thiodiethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate Synonym
  • Irganox L 115 Synonym
  • Anox 70 Synonym
  • 3,5-Di-tert-butyl-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester Synonym
  • Chinox 1035 Synonym
  • 2,2′-Thiodiethyl bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] Synonym
  • S 35 Synonym
  • L 115 Synonym
  • 2,2-Thiodiethylene bis-[(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] Synonym
  • Chinox S 35 Synonym
  • 2,2′-Thiodiethylene bis[3(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] Synonym
  • 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid 1,1′-(thiodi-2,1-ethanediyl) ester Synonym
  • 2-[2-[3-(3,5-Ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylsulfanyl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Synonym
  • AO 1035 Synonym
  • S 65385 Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Melting Point 70 °C CAS Common Chemistry
Name Thiodiethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate) CAS Common Chemistry
Molecular Mass 642.94 g/mol CAS Common Chemistry
642.9430000000002 g/mol RDKit
642.943 g/mol RDKit
642.936 g/mol chempirical lib
Canonical SMILES O=C(OCCSCCOC(=O)CCC=1C=C(C(O)=C(C1)C(C)(C)C)C(C)(C)C)CCC=2C=C(C(O)=C(C2)C(C)(C)C)C(C)(C)C CAS Common Chemistry
InChI InChI=1S/C38H58O6S/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)13-15-31(39)43-17-19-45-20-18-44-32(40)16-14-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h21-24,41-42H,13-20H2,1-12H3 CAS Common Chemistry
InChI Key InChIKey=VFBJXXJYHWLXRM-UHFFFAOYSA-N CAS Common Chemistry
Heavy Atom Count 45 RDKit
Hydrogen Bond Acceptors 7 RDKit
Hydrogen Bond Donors 2 RDKit
Rotatable Bonds 12 RDKit
Aromatic Ring Count 2 RDKit
Topological Polar Surface Area 93.06 Ų RDKit
LogP 8.672800000000006 RDKit
8.6728 RDKit
Molar Refractivity 186.89859999999933 cm³/mol RDKit
Ring Count 2 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.6316 RDKit
0.63 chempirical lib
Exact Mass 642.395410576 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration 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 = 642.94 g/mol. Edit any field — others recompute live.

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