Name: isopropyl 4-methyl-2-thioxopyrrolidine-3-carboxylate
SMILES:
CC(C)OC(=O)C1C(=S)NCC1CMolecular Processing
Molecular formula
C9H15NO2S
Molecular weight
201.29
Exact mass
201.0823
XLogP
1.12
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
54.48
Supplementary Information
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