CC(C)(C)c1cc(N)c([N+](=O)[O-])cc1SC#N
名称: 5-tert-Butyl-2-nitro-4-thiocyanato-phenylamine
SMILES: CC(C)(C)c1cc(N)c([N+](=O)[O-])cc1SC#N

Molecular Processing

Molecular formula
C11H13N3O2S
Molecular weight
251.31
Exact mass
251.0728
XLogP
3.05
TPSA
92.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
67.68

Supplementary Information

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