Name: 5-thienyl-1,3-cyclohexanedione
SMILES:
O=C1CC(=O)CC(c2cccs2)C1Molecular Processing
Molecular formula
C10H10O2S
Molecular weight
194.25
Exact mass
194.0402
XLogP
2.15
TPSA
34.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
50.93
Supplementary Information
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Involved in 8 reactions→