Name: 1-(2-oxo-2-phenylethyl)tetrahydrothiophenium bromide
SMILES:
O=C(C[S+]1CCCC1)c1ccccc1.[Br-]Molecular Processing
Molecular formula
C12H15BrOS
Molecular weight
287.22
Exact mass
286.0027
XLogP
-0.71
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.417
Molar refractivity
61.97
Supplementary Information
Details werden geladen…
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