Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-1H-pyrazole-3-carbothioamide
SMILES:
CS(=O)c1c(C(N)=S)nn(-c2c(Cl)cc(C(F)(F)F)cc2Br)c1NMolecular Processing
Molecular formula
C12H9BrClF3N4OS2
Molecular weight
461.72
Exact mass
459.9042
XLogP
3.26
TPSA
86.93
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
93.91
Supplementary Information
Details werden geladen…
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