이름: 3-(tert-butyl)benzenisothiocyanate
SMILES:
CC(C)(C)c1ccccc1.[N-]=C=SMolecular Processing
Molecular formula
C11H14NS-
Molecular weight
192.31
Exact mass
192.0852
XLogP
3.64
TPSA
22.3
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
61.1
Supplementary Information
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