CCOC(=O)CCCCCC(C(=S)OCC)c1ccccc1
الاسم: diethyl-2-phenylthio-1,8-octanedioate
SMILES: CCOC(=O)CCCCCC(C(=S)OCC)c1ccccc1

Molecular Processing

Molecular formula
C18H26O3S
Molecular weight
322.47
Exact mass
322.1603
XLogP
4.65
TPSA
35.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
93.13

Supplementary Information

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