SMILES:
CN(CCSCc1ncccc1S)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C14H22N2O2S2
Molecular weight
314.48
Exact mass
314.1123
XLogP
3.47
TPSA
42.43
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
86.52
Supplementary Information
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