OCC1=CC=C(CO)SS1
名称: 3,6-bis(hydroxymethyl)-1,2-dithiin
SMILES: OCC1=CC=C(CO)SS1

Molecular Processing

Molecular formula
C6H8O2S2
Molecular weight
176.26
Exact mass
175.9966
XLogP
1.13
TPSA
40.46
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
45.52

Supplementary Information

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