이름: ethyl 2-[(4-methylphenyl)methylsulfanyl]acetate
SMILES:
CCOC(=O)CSCC1=CC=C(C=C1)CMolecular Processing
Molecular formula
C12H16O2S
Molecular weight
224.32
Exact mass
224.0871
XLogP
2.79
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
63.97
Supplementary Information
InChIKey: PBSSYSNVKZYEAB-UHFFFAOYSA-N
동의어
ethyl (4-methylbenzylthio)acetateSCHEMBL17785155PBSSYSNVKZYEAB-UHFFFAOYSA-NAKOS017090749
27개 반응에 참여→