SMILES:
O=S=C1C=CC(OCCCCl)=CC1Molecular Processing
Molecular formula
C9H11ClO2S
Molecular weight
218.7
Exact mass
218.0168
XLogP
1.86
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
56.28
Supplementary Information
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