이름: 2,2-Di-(benzylthiomethyl)pentan-1-ol
SMILES:
CCCC(CO)(CSCc1ccccc1)CSCc1ccccc1Molecular Processing
Molecular formula
C21H28OS2
Molecular weight
360.59
Exact mass
360.1582
XLogP
5.63
TPSA
20.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
109.63
Supplementary Information
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