الاسم: 2-(2-(methylthio)ethoxy)propanoic acid
SMILES:
CSCCOC(C)C(=O)OMolecular Processing
Molecular formula
C6H12O3S
Molecular weight
164.23
Exact mass
164.0507
XLogP
0.84
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
41.43
Supplementary Information
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