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144424-56-6 | 5-Decanone, 6-methyl-6-[(phenylthio)methyl]-
CAS No: 144424-56-6 Catalog No: AG001JHM MDL No:
Product Description
Catalog Number:
AG001JHM
Chemical Name:
5-Decanone, 6-methyl-6-[(phenylthio)methyl]-
CAS Number:
144424-56-6
Molecular Formula:
C18H28OS
Molecular Weight:
292.4793
IUPAC Name:
6-methyl-6-(phenylsulfanylmethyl)decan-5-one
InChI:
InChI=1S/C18H28OS/c1-4-6-13-17(19)18(3,14-7-5-2)15-20-16-11-9-8-10-12-16/h8-12H,4-7,13-15H2,1-3H3
InChI Key:
RSHJJSZICUMEBJ-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)CCCC)(CSc1ccccc1)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.186g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.481g/mol
Monoisotopic Mass:
292.186g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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