CC(C)(C)C1=CC(=C(C=C1SC#N)N)N
이름: (4,5-diamino-2-tert-butylphenyl) thiocyanate
SMILES: CC(C)(C)C1=CC(=C(C=C1SC#N)N)N

Molecular Processing

Molecular formula
C11H15N3S
Molecular weight
221.33
Exact mass
221.0987
XLogP
2.72
TPSA
75.83
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
65.44

Supplementary Information

InChIKey: GPLLENDVKWEMIQ-UHFFFAOYSA-N
동의어
4-tert-Butyl-5-thiocyanato-benzene-1,2-diamineSCHEMBL6302735GPLLENDVKWEMIQ-UHFFFAOYSA-N
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