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88358-44-5 | Ethanone, 2-[[2-(acetyloxy)-3-(phenylmethoxy)butyl]thio]-1-phenyl-
CAS No: 88358-44-5 Catalog No: AG004J4C MDL No:
Product Description
Catalog Number:
AG004J4C
Chemical Name:
Ethanone, 2-[[2-(acetyloxy)-3-(phenylmethoxy)butyl]thio]-1-phenyl-
CAS Number:
88358-44-5
Molecular Formula:
C21H24O4S
Molecular Weight:
372.4779
IUPAC Name:
(1-phenacylsulfanyl-3-phenylmethoxybutan-2-yl) acetate
InChI:
InChI=1S/C21H24O4S/c1-16(24-13-18-9-5-3-6-10-18)21(25-17(2)22)15-26-14-20(23)19-11-7-4-8-12-19/h3-12,16,21H,13-15H2,1-2H3
InChI Key:
MSUOQAVJTCFRSH-UHFFFAOYSA-N
SMILES:
CC(=O)OC(C(OCc1ccccc1)C)CSCC(=O)c1ccccc1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.14g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.479g/mol
Monoisotopic Mass:
372.14g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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