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116488-95-0 | Benzene, 1,1'-[thiobis(methylene)]bis[3,4,5-trimethoxy- (9CI)
CAS No: 116488-95-0 Catalog No: AG000CLR MDL No:
Product Description
Catalog Number:
AG000CLR
Chemical Name:
Benzene, 1,1'-[thiobis(methylene)]bis[3,4,5-trimethoxy- (9CI)
CAS Number:
116488-95-0
Molecular Formula:
C20H26O6S
Molecular Weight:
394.4818
IUPAC Name:
1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methylsulfanylmethyl]benzene
InChI:
InChI=1S/C20H26O6S/c1-21-15-7-13(8-16(22-2)19(15)25-5)11-27-12-14-9-17(23-3)20(26-6)18(10-14)24-4/h7-10H,11-12H2,1-6H3
InChI Key:
XVWCWQNYFVAZGT-UHFFFAOYSA-N
SMILES:
COc1cc(CSCc2cc(OC)c(c(c2)OC)OC)cc(c1OC)OC
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.145g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.482g/mol
Monoisotopic Mass:
394.145g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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