CC1=CC=C(S1)C2=CC(SC3=C2C=C(C=C3)C=O)(C)C
Nom: 2,2-dimethyl-4-(5-methylthiophen-2-yl)thiochromene-6-carbaldehyde
SMILES: CC1=CC=C(S1)C2=CC(SC3=C2C=C(C=C3)C=O)(C)C

Molecular Processing

Molecular formula
C17H16OS2
Molecular weight
300.45
Exact mass
300.0643
XLogP
5.19
TPSA
17.07
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
87.9

Supplementary Information

InChIKey: ABIZRYOQYYHLTE-UHFFFAOYSA-N
Synonymes
ABIZRYOQYYHLTE-UHFFFAOYSA-N2,2-Dimethyl-4(2-methyl-thien-5-yl)-thiochrom-3-en-6-al
Voir la source →
Impliqué dans 8 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→