Chemical ID: 3968243

CC(C)(C)c1cc(cc(c1O)C(C)(C)C)SC(C)(C)Sc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C
Chemical ID:
3968243
Name [?]:
4-[1-(4-hydroxy-3,5-ditert-butyl-phenyl)sulfanyl-1-methyl-ethyl]sulfanyl-2,6-ditert-butyl-phenol
SMILES [?]:
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)SC(C)(C)Sc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C
InChi [?]:
InChI=1/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,14,15,28,29,30,33,34,35,18,19,6,8,26,22,7,21,5,9,25,23,10,24,2,12,27,32,17,11,31,16,20/E:(1,2,3,4,5,6,7,8,9,10,11,12)(13,14)(15,16,17,18)(19,20)(21,22,23,24)(25,26)(27,28,29,30)(32,33)(34,35)/rA:35nCCCCCCCCCCOCCCCSCCCSCCCCCCCCCCOCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s9;s12;s12;s12;s7;s16;s17;s17;s17;s20;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;s24;s23;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H48O2S2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:15.6794
Area:709.489
Solvation:-2.05781
Coulombic:-39.6532
Bond Count [?]
All:36
Single:30
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:516.844
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:9.87
LogP (Chemaxon):11.52

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Descriptor Annotations

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