SMILES:
CC(C)CC(=O)C(S)C(C)CMolecular Processing
Molecular formula
C9H18OS
Molecular weight
174.31
Exact mass
174.1078
XLogP
2.56
TPSA
17.07
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
52.07
Supplementary Information
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