이름: N-cyanopiperazine-1-carbimidothioate
SMILES:
N#CN=C([S-])N1CCNCC1Molecular Processing
Molecular formula
C6H9N4S-
Molecular weight
169.23
Exact mass
169.0553
XLogP
-0.72
TPSA
51.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
44.86
Supplementary Information
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