chempirical

2-Methyl-4,6-bis[(octylthio)methyl]phenol

C25H44OS2CAS 110553-27-0424.75 g/mol

Open in Covalent MOL file
SOHS
PhenolSulfide

Properties

Molecular formula
C25H44OS2
Molar mass
424.75 g/mol
Exact mass
424.2834 Da
logP
8.89Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
18

Hazards

Not classified as hazardous under GHS by 192 ECHA notifiers. Aggregated from 192 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
110553-27-0
SMILES
CCCCCCCCSCc1cc(C)c(O)c(CSCCCCCCCC)c1
InChIKey
GAODDBNJCKQQDY-UHFFFAOYSA-N
InChI
InChI=1S/C25H44OS2/c1-4-6-8-10-12-14-16-27-20-23-18-22(3)25(26)24(19-23)21-28-17-15-13-11-9-7-5-2/h18-19,26H,4-17,20-21H2,1-3H3

Weigh it out

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

Names and synonyms

24 names · show all
  • Phenol, 2-methyl-4,6-bis[(octylthio)methyl]-
  • Irganox 1520
  • AO 4 (Russian stabilizer)
  • AO 4
  • Irganox 1520L
  • Irgastab cable KV 10
  • KV 10
  • 2,4-Bis(octylthiomethyl)-6-methylphenol
  • 2,4-Dioctylthiomethyl-6-methylphenol
  • 4,6-Bis(octylthiomethyl)-o-cresol
  • Irganox 1520SE
  • EB 51-677
  • Antioxidant 2088
  • HP 400
  • Antage HP 400
  • Antioxidant 1520
  • Irganox 1520D
  • S 6P
  • IX 1520
  • IR 1520
  • 2-Methyl-4,6-bis(octylsulfanylmethyl)phenol
  • 4,6-Bis(octythiomethyl)-o-cresol
  • Irgastab KV 10
  • Lowinox 520

Work with 2-Methyl-4,6-bis[(octylthio)methyl]phenol

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

2,4-Bis[(dodecylthio)methyl]-6-methylphenol110675-26-8100 % similar Dodecyl sulfide2469-45-639 % similar Dioctyl sulfide2690-08-639 % similar 1-(Hexadecylthio)hexadecane3312-77-439 % similar Diheptyl sulfide629-65-239 % similar 1,1′-Thiobis[decane]693-83-439 % similar Pentyl sulfide872-10-636 % similar Tetradecylthioacetic acid2921-20-233 % similar

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

Elsewhere

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