SMILES:
C#CCCCCC12OCC(CCC)(CS1)CS2Molecular Processing
Molecular formula
C14H22OS2
Molecular weight
270.46
Exact mass
270.1112
XLogP
4.13
TPSA
9.23
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
17
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
78.24
Supplementary Information
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