Name: 5-(2-ethyl-[1,3]dioxolan-2-yl)-2-thienylmethyl methanesulphonate
SMILES:
CCC1(c2ccc(COS(C)(=O)=O)s2)OCCO1Molecular Processing
Molecular formula
C11H16O5S2
Molecular weight
292.38
Exact mass
292.0439
XLogP
1.83
TPSA
61.83
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
67.82
Supplementary Information
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