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1000775-75-6 | Benzenemethanol, α,α'-[thiobis(methylene)]bis[4-methoxy-
CAS No: 1000775-75-6 Catalog No: AG0000UE MDL No:
Product Description
Catalog Number:
AG0000UE
Chemical Name:
Benzenemethanol, α,α'-[thiobis(methylene)]bis[4-methoxy-
CAS Number:
1000775-75-6
Molecular Formula:
C18H22O4S
Molecular Weight:
334.4299
IUPAC Name:
2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]sulfanyl-1-(4-methoxyphenyl)ethanol
InChI:
InChI=1S/C18H22O4S/c1-21-15-7-3-13(4-8-15)17(19)11-23-12-18(20)14-5-9-16(22-2)10-6-14/h3-10,17-20H,11-12H2,1-2H3
InChI Key:
KIWZDXZXPIXQEV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(CSCC(c1ccc(cc1)OC)O)O
Properties
Complexity:
282
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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