SMILES:
CCCC(=O)OCC1OC(=O)CS1Molecular Processing
Molecular formula
C8H12O4S
Molecular weight
204.25
Exact mass
204.0456
XLogP
0.95
TPSA
52.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
48.21
Supplementary Information
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