名称: 1-[4-(methylthio)butyl]cyclopentanecarboxylic acid methyl ester
SMILES:
COC(=O)C1(CCCCSC)CCCC1Molecular Processing
Molecular formula
C12H22O2S
Molecular weight
230.37
Exact mass
230.1341
XLogP
3.25
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
65.15
Supplementary Information
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