CC(CS([O-])=NC#N)c1ccc(Cl)nc1
名称: [1-(6-chloropyridin-3-yl)ethyl](methyl)oxido-λ4-sulphanylidenecyanamide
SMILES: CC(CS([O-])=NC#N)c1ccc(Cl)nc1

Molecular Processing

Molecular formula
C9H9ClN3OS-
Molecular weight
242.71
Exact mass
242.016
XLogP
2.25
TPSA
72.1
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
-1
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
58.71

Supplementary Information

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