Nombre: 4-isopropyl-7-methyl-6-thiocyanato-benzothiazol-2-yl-amine
SMILES:
Cc1c(SC#N)cc(C(C)C)c2nc(N)sc12Molecular Processing
Molecular formula
C12H13N3S2
Molecular weight
263.39
Exact mass
263.0551
XLogP
3.88
TPSA
62.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
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
0.333
Molar refractivity
74.33
Supplementary Information
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