이름: crude title compound
SMILES:
COC(=O)C1(CSC(C)(C)C)Cc2ccccc2C1Molecular Processing
Molecular formula
C16H22O2S
Molecular weight
278.42
Exact mass
278.1341
XLogP
3.48
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
80.51
Supplementary Information
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