CC1=CC=C(C=C1)OC2=CC=C(S2)C#N
CAS: 849806-14-0
Name: 5-(4-methylphenoxy)thiophene-2-carbonitrile
SMILES: CC1=CC=C(C=C1)OC2=CC=C(S2)C#N

Molecular Processing

Molecular formula
C12H9NOS
Molecular weight
215.28
Exact mass
215.0405
XLogP
3.72
TPSA
33.02
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
60.29

Supplementary Information

InChIKey: PLZCBYSAVACJKR-UHFFFAOYSA-N
Synonyme
5-p-Tolyloxy-thiophene-2-carbonitrile849806-14-0SCHEMBL509367PLZCBYSAVACJKR-UHFFFAOYSA-NDB-124064
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