이름: ethyl (4-isopropylbenzylthio)acetate
SMILES:
CCOC(=O)CSCc1ccc(C(C)C)cc1Molecular Processing
Molecular formula
C14H20O2S
Molecular weight
252.38
Exact mass
252.1184
XLogP
3.61
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
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
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
73.33
Supplementary Information
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