Name: 4,4-dimethyl-6-thiochromancarboxaldehyde
SMILES:
CC1(C)CCSc2ccc(C=O)cc21Molecular Processing
Molecular formula
C12H14OS
Molecular weight
206.31
Exact mass
206.0765
XLogP
3.27
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
60.2
Supplementary Information
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