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114628-97-6 | Ethanone, 2-(octylthio)-1-phenyl-
CAS No: 114628-97-6 Catalog No: AG000EW7 MDL No:
Product Description
Catalog Number:
AG000EW7
Chemical Name:
Ethanone, 2-(octylthio)-1-phenyl-
CAS Number:
114628-97-6
Molecular Formula:
C16H24OS
Molecular Weight:
264.4262
IUPAC Name:
2-octylsulfanyl-1-phenylethanone
InChI:
InChI=1S/C16H24OS/c1-2-3-4-5-6-10-13-18-14-16(17)15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
InChI Key:
LUAWRNIDMLYCEV-UHFFFAOYSA-N
SMILES:
CCCCCCCCSCC(=O)c1ccccc1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.155g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.427g/mol
Monoisotopic Mass:
264.155g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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