Name: 2-benzothiazol-2-yl-3,3-bismethylsulfanylacrylonitrile
SMILES:
CSC(SC)=C(C#N)c1nc2ccccc2s1Molecular Processing
Molecular formula
C12H10N2S3
Molecular weight
278.43
Exact mass
278.0006
XLogP
4.21
TPSA
36.68
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
79.18
Supplementary Information
Details werden geladen…
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