Nom: ethyl 4-(methylsulphanyl)-3-oxobutanoate
SMILES:
CCOC(=O)CC(=O)CSCMolecular Processing
Molecular formula
C7H12O3S
Molecular weight
176.24
Exact mass
176.0507
XLogP
0.87
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
44.64
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→