Nombre: 2-(2-methylsulfanylethoxy)aniline
SMILES:
CSCCOC1=CC=CC=C1NMolecular Processing
Molecular formula
C9H13NOS
Molecular weight
183.28
Exact mass
183.0718
XLogP
2.01
TPSA
35.25
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
54.73
Supplementary Information
InChIKey: PXILTUIQOMQGIB-UHFFFAOYSA-N
Sinónimos
2-(2-methylthioethoxy)anilineSCHEMBL81928032-(2-methylthioethoxy)-anilinePXILTUIQOMQGIB-UHFFFAOYSA-N
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