CCOC(=O)COC1=C(C=C(C=C1)S)C
Nom: ethyl 2-(2-methyl-4-sulfanylphenoxy)acetate
SMILES: CCOC(=O)COC1=C(C=C(C=C1)S)C

Molecular Processing

Molecular formula
C11H14O3S
Molecular weight
226.3
Exact mass
226.0664
XLogP
2.23
TPSA
35.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
60.56

Supplementary Information

InChIKey: AHJQBNVBFJGSMO-UHFFFAOYSA-N
Synonymes
ethyl (4-mercapto-2-methylphenoxy)acetateSCHEMBL377848AHJQBNVBFJGSMO-UHFFFAOYSA-Nethyl(4-mercapto-2-methylphenoxy)acetateethyl (4-mercapto-2-methyl phenoxy)acetateethyl [(4-mercapto-2-methylphenyl)oxy]acetate4-Mercapto-2-methylphenoxy-acetic acid ethyl ester(2-Methyl-4-mercapto-phenoxy)-acetic acid ethyl ester(4-mercapto-2-methyl-phenoxy)-acetic acid ethyl ester
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Impliqué dans 85 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→