Name: 4-chloro-5-iodo-2-(methylthio)pyrimidine
SMILES:
CSc1ncc(I)c(Cl)n1Molecular Processing
Molecular formula
C5H4ClIN2S
Molecular weight
286.52
Exact mass
285.8828
XLogP
2.46
TPSA
25.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
51.54
Supplementary Information
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