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19063-71-9 | 1-Propanone, 3,3-bis(methylthio)-1-phenyl-
CAS No: 19063-71-9 Catalog No: AG002EP8 MDL No:
Product Description
Catalog Number:
AG002EP8
Chemical Name:
1-Propanone, 3,3-bis(methylthio)-1-phenyl-
CAS Number:
19063-71-9
Molecular Formula:
C11H14OS2
Molecular Weight:
226.3583
IUPAC Name:
3,3-bis(methylsulfanyl)-1-phenylpropan-1-one
InChI:
InChI=1S/C11H14OS2/c1-13-11(14-2)8-10(12)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChI Key:
VRIRKYWJODAANP-UHFFFAOYSA-N
SMILES:
CSC(CC(=O)c1ccccc1)SC
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.352g/mol
Monoisotopic Mass:
226.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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