Nombre: 4-(2-phenylethyl)-1-benzothiophene
SMILES:
C1=CC=C(C=C1)CCC2=C3C=CSC3=CC=C2Molecular Processing
Molecular formula
C16H14S
Molecular weight
238.36
Exact mass
238.0816
XLogP
4.69
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
17
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
75.68
Supplementary Information
InChIKey: QHDMQVZYOBBLTM-UHFFFAOYSA-N
Sinónimos
SCHEMBL3623024QHDMQVZYOBBLTM-UHFFFAOYSA-N4-(2-Phenylethyl)benzo[b]thiophene
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