Nombre: ethyl 3,3-dimethyl-5-phenylthiopentanoate
SMILES:
CCOC(=S)CC(C)(C)CCc1ccccc1Molecular Processing
Molecular formula
C15H22OS
Molecular weight
250.41
Exact mass
250.1391
XLogP
4.4
TPSA
9.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
77.39
Supplementary Information
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