Name: α-(cyclohexylthio)-3,4-dimethoxy benzeneacetonitrile
SMILES:
COc1ccc(C(C#N)SC2CCCCC2)cc1OCMolecular Processing
Molecular formula
C16H21NO2S
Molecular weight
291.42
Exact mass
291.1293
XLogP
4.33
TPSA
42.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
82.36
Supplementary Information
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Involved in 9 reactions→