Name: (1,3-dithiolan-2-yl)acetic acid
SMILES:
O=C(O)CC1SCCS1Molecular Processing
Molecular formula
C5H8O2S2
Molecular weight
164.25
Exact mass
163.9966
XLogP
1.27
TPSA
37.3
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
40.96
Supplementary Information
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