الاسم: 3-(2-tert-Butylthioethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride
SMILES:
CC(C)(C)SCCn1c(=N)sc2cc(OC(F)(F)F)ccc21.ClMolecular Processing
Molecular formula
C14H18ClF3N2OS2
Molecular weight
386.89
Exact mass
386.0501
XLogP
5.03
TPSA
38.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
91.81
Supplementary Information
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