CC(C)(C(C1=CN=C(S1)C=O)O)O
Nom: 5-(1,2-dihydroxy-2-methylpropyl)-1,3-thiazole-2-carbaldehyde
SMILES: CC(C)(C(C1=CN=C(S1)C=O)O)O

Molecular Processing

Molecular formula
C8H11NO3S
Molecular weight
201.25
Exact mass
201.046
XLogP
0.76
TPSA
70.42
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
48.76

Supplementary Information

InChIKey: VRWKLFJFAWGTGE-UHFFFAOYSA-N
Synonymes
SCHEMBL2895948VRWKLFJFAWGTGE-UHFFFAOYSA-N5-(1,2-dihydroxy-2-methylpropyl)-1,3-thiazole-2-carbaldehyde
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→