2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine

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Catalog Number
ACM991844
Product Name
2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine
Structure
Structure
CAS
991-84-4
Category
Heterocyclic Organic Compound
Description
Liquid; OtherSolid; PelletsLargeCrystals
Synonyms
2,4-bis-(Octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine;AO 565
IUPAC Name
4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol
Molecular Weight
589g/mol
Molecular Formula
C33H56N4OS2
Canonical SMILES
CCCCCCCCSC1=NC(=NC(=N1)NC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SCCCCCCCC
InChI
InChI=1S/C33H56N4OS2/c1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8/h23-24,38H,9-22H2,1-8H3,(H,34,35,36,37)
InChI Key
QRLSTWVLSWCGBT-UHFFFAOYSA-N
Density
1.07 g/cm³
Complexity
603
Covalently-Bonded Unit Count
1
EC Number
213-590-1
Exact Mass
588.389555g/mol
Formal Charge
0
H-Bond Acceptor
7
H-Bond Donor
2
Heavy Atom Count
40
Monoisotopic Mass
588.389555g/mol
NSC Number
328455
Rotatable Bond Count
20
UNII
O1Q826IX7H
XLogP3
13.4
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