Name: (1,3-dithian-2-yl)acetic acid
SMILES:
O=C(O)CC1SCCCS1Molecular Processing
Molecular formula
C6H10O2S2
Molecular weight
178.28
Exact mass
178.0122
XLogP
1.66
TPSA
37.3
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
10
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
0.833
Molar refractivity
45.57
Supplementary Information
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