chempirical

Thiodiethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)

C38H58O6SCAS 41484-35-9642.94 g/mol

Open in Covalent MOL file
OOSOOOHHO
EsterPhenolSulfide

Properties

Molecular formula
C38H58O6S
Molar mass
642.94 g/mol
Exact mass
642.3954 Da
Melting point
70 °C
logP
8.67Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
12

Identifiers

CAS 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
InChIKey
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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

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

Work with Thiodiethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pentaerythritol tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)6683-19-871 % similar Antioxidant 10762082-79-369 % similar 2,2′-Oxamidobis[ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]70331-94-169 % similar Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate6386-38-567 % similar Antioxidant 24536443-68-266 % similar Chiguard 5530104810-47-159 % similar 3-(3′,5′-Di-tert-butyl-4′-hydroxyphenyl)propionic acid20170-32-557 % similar α-[3-[3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-ω-hydroxypoly(oxy-1,2-ethanediyl)104810-48-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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