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77270-21-4 | Ethanone, 2-(dodecylthio)-1-phenyl-
CAS No: 77270-21-4 Catalog No: AG005D09 MDL No:
Product Description
Catalog Number:
AG005D09
Chemical Name:
Ethanone, 2-(dodecylthio)-1-phenyl-
CAS Number:
77270-21-4
Molecular Formula:
C20H32OS
Molecular Weight:
320.5325
IUPAC Name:
2-dodecylsulfanyl-1-phenylethanone
InChI:
InChI=1S/C20H32OS/c1-2-3-4-5-6-7-8-9-10-14-17-22-18-20(21)19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3
InChI Key:
MWFGMEKTBYGCMW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSCC(=O)c1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.217g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.535g/mol
Monoisotopic Mass:
320.217g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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