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114494-49-4 | Benzene, 1-(ethylthio)-4-[2-(4-methylphenoxy)ethoxy]-
CAS No: 114494-49-4 Catalog No: AG000EJ5 MDL No:
Product Description
Catalog Number:
AG000EJ5
Chemical Name:
Benzene, 1-(ethylthio)-4-[2-(4-methylphenoxy)ethoxy]-
CAS Number:
114494-49-4
Molecular Formula:
C17H20O2S
Molecular Weight:
288.4045
IUPAC Name:
1-ethylsulfanyl-4-[2-(4-methylphenoxy)ethoxy]benzene
InChI:
InChI=1S/C17H20O2S/c1-3-20-17-10-8-16(9-11-17)19-13-12-18-15-6-4-14(2)5-7-15/h4-11H,3,12-13H2,1-2H3
InChI Key:
VHUFPRTVTIMYNK-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cc1)OCCOc1ccc(cc1)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.118g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.405g/mol
Monoisotopic Mass:
288.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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