CC1=C(C2=CC=CC=C2S1)C=O
CAS: 30446-99-2
Nom: 2-methyl-1-benzothiophene-3-carbaldehyde
SMILES: CC1=C(C2=CC=CC=C2S1)C=O

Molecular Processing

Molecular formula
C10H8OS
Molecular weight
176.24
Exact mass
176.0296
XLogP
3.02
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
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
0.1
Molar refractivity
51.95

Supplementary Information

InChIKey: GDAUIGNXYBQHNU-UHFFFAOYSA-N
Synonymes
2-methyl-1-benzothiophene-3-carbaldehydeRefChem:474895959-318-130446-99-22-methylbenzo[b]thiophene-3-carbaldehydeMFCD01651753Benzo[b]thiophene-3-carboxaldehyde, 2-methyl-2-Methylbenzo[b]thiophene-3-carboxaldehydeSCHEMBL1093585DTXSID10396264GDAUIGNXYBQHNU-UHFFFAOYSA-NSBB089185AKOS006283719AS-46988DA-25811SY2394002-Methyl-benzo[b]thiophene-3-carbaldehydeCS-0072853EN300-185472F11142F309202F2167-9493Z1162445919
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Impliqué dans 11 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→