Name: 3ethoxy-3-t-butyl-4-neopentyl 1,2 dithiole
SMILES:
CCOC1(C(C)(C)C)SSC=C1CC(C)(C)CMolecular Processing
Molecular formula
C14H26OS2
Molecular weight
274.5
Exact mass
274.1425
XLogP
5.48
TPSA
9.23
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
81.15
Supplementary Information
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