Название: ethyl (2-methylbenzylthio)acetate
SMILES:
CCOC(=O)CSCc1ccccc1CMolecular Processing
Molecular formula
C12H16O2S
Molecular weight
224.32
Exact mass
224.0871
XLogP
2.79
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
63.97
Supplementary Information
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