이름: toluene-4-thiosulfonic acid S-(2-tert-butyl-4-ethylsulfamoyloxy-5-methyl-phenyl) ester
SMILES:
CCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SS(=O)(=O)c2ccc(C)cc2)cc1CMolecular Processing
Molecular formula
C20H27NO5S3
Molecular weight
457.64
Exact mass
457.1051
XLogP
4.32
TPSA
89.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
117.33
Supplementary Information
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