CC(=O)c1csc(-c2ccc(C(C)(C)C)cc2)c1O
SMILES: CC(=O)c1csc(-c2ccc(C(C)(C)C)cc2)c1O

Molecular Processing

Molecular formula
C16H18O2S
Molecular weight
274.38
Exact mass
274.1028
XLogP
4.62
TPSA
37.3
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
80.12

Supplementary Information

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