CC1=CC=C(C=C1)CC2=CC=CC3=C2SC=C3
Name: 7-[(4-methylphenyl)methyl]-1-benzothiophene
SMILES: CC1=CC=C(C=C1)CC2=CC=CC3=C2SC=C3

Molecular Processing

Molecular formula
C16H14S
Molecular weight
238.36
Exact mass
238.0816
XLogP
4.8
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
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
75.81

Supplementary Information

InChIKey: YMSVUIQTDLWPMN-UHFFFAOYSA-N
Synonyme
SCHEMBL1539253YMSVUIQTDLWPMN-UHFFFAOYSA-N7-(4-Methylbenzyl)benzo[b]thiophene7-(4-methylbenzyl)-1-benzothiophene
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