Name: 2-[(butylthio)methylene]6-ethylcylcohexanone
SMILES:
CCCCSC=C1CCCC(CC)C1=OMolecular Processing
Molecular formula
C13H22OS
Molecular weight
226.38
Exact mass
226.1391
XLogP
4.18
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
68.09
Supplementary Information
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Involved in 4 reactions→