CCCC(=O)C1=C2C=CSC2=CC=C1
Name: 1-(1-benzothiophen-4-yl)butan-1-one
SMILES: CCCC(=O)C1=C2C=CSC2=CC=C1

Molecular Processing

Molecular formula
C12H12OS
Molecular weight
204.29
Exact mass
204.0609
XLogP
3.88
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
61.06

Supplementary Information

InChIKey: PEKAZQOJKAPMRP-UHFFFAOYSA-N
Synonyme
SCHEMBL6327050PEKAZQOJKAPMRP-UHFFFAOYSA-N1-(benzo[b]thiophen-4-yl)butan-1-one1-(benzo[b]thiophen-4-yl)-3-methylpropan-1-one
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