3589507
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8.9282
6.3301
6.3301
10.6603
2.866
10.6603
10.6603
3.732
10.6603
11.6603
9.6602
2
2.366
3.366
9.7942
4.5981
11.5263
3.732
9.7942
5.4641
11.5263
4.5981
5.4641
10.6603
8.0622
7.1962
3.903
3.676
11.2803
10.6603
10.0403
11.6603
12.2803
2.8291
1.8291
2.056
2.903
2.31
1.4631
1.69
9.6602
9.0402
9.6602
11.6603
4.5981
9.2573
12.0632
3.1951
4.5981
12.0632
8.4607
7.6636
6.7976
7.5947
11.1972
6.3301
-0.94
-0.44
-2.44
-1.94
-0.44
2.06
1.06
-0.94
3.06
2.06
2.06
0.06
-1.306
0.426
0.56
-0.44
0.56
-1.94
-0.44
-0.94
-0.44
-2.44
-1.94
-0.94
-0.44
-0.94
0.116
0.963
3.06
3.68
3.06
1.44
2.06
0.736
-0.996
-1.843
-1.616
0.5969
0.37
-0.4769
2.68
2.06
1.44
2.68
0.18
0.87
0.87
-2.25
-3.06
-0.75
0.0349
0.0349
-1.415
-1.415
-2.25
-3.06
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
387
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
2
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E0783000600000000000000000000000000000000000306000000000000000014000001A04000800000E0484D800B2078000020880022042000002000020281008881A060888082622A2111280700024C01128980780C0D00FA0000080000020004000010000004000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-tert-butyl-2-[2-(5-tert-butyl-2-hydroxy-phenyl)sulfanylethylsulfanyl]phenol
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)thio]ethylthio]phenol
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-tert-butyl-2-[2-(5-tert-butyl-2-hydroxyphenyl)sulfanylethylsulfanyl]phenol
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-tert-butyl-2-[2-(5-tert-butyl-2-oxidanyl-phenyl)sulfanylethylsulfanyl]phenol
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-phenyl)thio]ethylthio]phenol
InChI
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
InChI=1S/C22H30O2S2/c1-21(2,3)15-7-9-17(23)19(13-15)25-11-12-26-20-14-16(22(4,5)6)8-10-18(20)24/h7-10,13-14,23-24H,11-12H2,1-6H3
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
CGRJMXTYSSQFMG-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
7.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
390.168722
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C22H30O2S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
390.6024
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CC(C)(C)C1=CC(=C(C=C1)O)SCCSC2=C(C=CC(=C2)C(C)(C)C)O
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CC(C)(C)C1=CC(=C(C=C1)O)SCCSC2=C(C=CC(=C2)C(C)(C)C)O
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
91.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
390.168722
26
0
0
0
0
0
0
0
1
5