CC(C)(C)Cc1c[s+]sc1C(C)(C)C.O=S(=O)([O-])O
Name: 3-tert-butyl-4-neopentyl-1,2 dithiolium hydrogen sulfate
SMILES: CC(C)(C)Cc1c[s+]sc1C(C)(C)C.O=S(=O)([O-])O

Molecular Processing

Molecular formula
C12H22O4S3
Molecular weight
326.5
Exact mass
326.068
XLogP
3.98
TPSA
77.43
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.75
Molar refractivity
80.79

Supplementary Information

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