Name: 4-(propylthio)butan-2-one
SMILES:
CCCSCCC(C)=OMolecular Processing
Molecular formula
C7H14OS
Molecular weight
146.25
Exact mass
146.0765
XLogP
2.11
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
42.91
Supplementary Information
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