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101012-80-0 | Phenol, 2,2'-dithiobis[5-(1,1-dimethylethyl)- (9CI)
CAS No: 101012-80-0 Catalog No: AG0003JE MDL No:
Product Description
Catalog Number:
AG0003JE
Chemical Name:
Phenol, 2,2'-dithiobis[5-(1,1-dimethylethyl)- (9CI)
CAS Number:
101012-80-0
Molecular Formula:
C20H26O2S2
Molecular Weight:
362.5492
IUPAC Name:
5-tert-butyl-2-[(4-tert-butyl-2-hydroxyphenyl)disulfanyl]phenol
InChI:
InChI=1S/C20H26O2S2/c1-19(2,3)13-7-9-17(15(21)11-13)23-24-18-10-8-14(12-16(18)22)20(4,5)6/h7-12,21-22H,1-6H3
InChI Key:
IIODSQVVTNEMIN-UHFFFAOYSA-N
SMILES:
Oc1cc(ccc1SSc1ccc(cc1O)C(C)(C)C)C(C)(C)C
EC Number:
309-779-4
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.546g/mol
Monoisotopic Mass:
362.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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