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113676-59-8 | Phenol, dithiobis[(1-methylpropyl)- (9CI)
CAS No: 113676-59-8 Catalog No: AG0009AI MDL No:
Product Description
Catalog Number:
AG0009AI
Chemical Name:
Phenol, dithiobis[(1-methylpropyl)- (9CI)
CAS Number:
113676-59-8
Molecular Formula:
C20H26O2S2
Molecular Weight:
362.5492
IUPAC Name:
3-butan-2-yl-2-[(2-butan-2-yl-6-hydroxyphenyl)disulfanyl]phenol
InChI:
InChI=1S/C20H26O2S2/c1-5-13(3)15-9-7-11-17(21)19(15)23-24-20-16(14(4)6-2)10-8-12-18(20)22/h7-14,21-22H,5-6H2,1-4H3
InChI Key:
GVNONTPKISPVAK-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1SSc1c(O)cccc1C(CC)C)O)C
Properties
Complexity:
332
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:
7
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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