Название: 1,4-dioxa-8-thiaspiro[4.5]decan-7-ol
SMILES:
C1CSC(CC12OCCO2)OMolecular Processing
Molecular formula
C7H12O3S
Molecular weight
176.24
Exact mass
176.0507
XLogP
0.57
TPSA
38.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
1
Molar refractivity
42.33
Supplementary Information
InChIKey: RTZDKMMGSVKTNH-UHFFFAOYSA-N
Синонимы
SCHEMBL8842260RTZDKMMGSVKTNH-UHFFFAOYSA-N1,4-Dioxa-8-thiaspiro[4,5]decan-7-ol1,4-Dioxa-8-thiaspiro[4.5]decan-7-ol
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