Nombre: 1,1-dimethylethyl(6-thiocyanato-1,3-benzothiazol-2-yl)carbamate
SMILES:
CC(C)(C)N(C(=O)[O-])c1nc2ccc(SC#N)cc2s1Molecular Processing
Molecular formula
C13H12N3O2S2-
Molecular weight
306.39
Exact mass
306.0376
XLogP
2.82
TPSA
80.05
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
78.72
Supplementary Information
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