Nombre: ethyl 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorobenzenecarbodithioate
SMILES:
CCSC(=S)c1cccc(Cl)c1CCc1cc(Br)ccc1OCMolecular Processing
Molecular formula
C18H18BrClOS2
Molecular weight
429.83
Exact mass
427.9671
XLogP
6.32
TPSA
9.23
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
109.39
Supplementary Information
InChIKey: PYQMYDTYLYZODV-UHFFFAOYSA-N
Sinónimos
SCHEMBL4825297PYQMYDTYLYZODV-UHFFFAOYSA-N2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro-dithiobenzoic acid ethyl ester
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