Nombre: mixture
SMILES:
CCOC(=O)CC(=O)c1sc(SC)nc1NMolecular Processing
Molecular formula
C9H12N2O3S2
Molecular weight
260.34
Exact mass
260.0289
XLogP
1.58
TPSA
82.28
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
63.89
Supplementary Information
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