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157370-41-7 | Ethanol, 2,2'-[thiobis[(2-methyl-4,1-phenylene)oxy]]bis- (9CI)
CAS No: 157370-41-7 Catalog No: AG001PF3 MDL No:
Product Description
Catalog Number:
AG001PF3
Chemical Name:
Ethanol, 2,2'-[thiobis[(2-methyl-4,1-phenylene)oxy]]bis- (9CI)
CAS Number:
157370-41-7
Molecular Formula:
C18H22O4S
Molecular Weight:
334.4299
IUPAC Name:
2-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]sulfanyl-2-methylphenoxy]ethanol
InChI:
InChI=1S/C18H22O4S/c1-13-11-15(3-5-17(13)21-9-7-19)23-16-4-6-18(14(2)12-16)22-10-8-20/h3-6,11-12,19-20H,7-10H2,1-2H3
InChI Key:
QMOBOQVUHOBWDG-UHFFFAOYSA-N
SMILES:
OCCOc1ccc(cc1C)Sc1ccc(c(c1)C)OCCO
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.124g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.43g/mol
Monoisotopic Mass:
334.124g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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