2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide

C4H8O2S — CID 2733922

IUPAC2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])S(=O)(=O)C1([2H])[2H]
InChIInChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2/i1D2,2D2,3D2,4D2
InChIKeyHXJUTPCZVOIRIF-SVYQBANQSA-N
MW128.22 g/mol
LogP0.19
Rot. Bonds

About 2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide

2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide (PubChem CID 2733922) has the molecular formula C4H8O2S and a molecular weight of 128.22 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide
PubChem CID2733922
Molecular FormulaC4H8O2S
Molecular Weight128.22 g/mol
Exact Mass128.07
IUPAC Name2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])S(=O)(=O)C1([2H])[2H]
InChIInChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2/i1D2,2D2,3D2,4D2
InChIKeyHXJUTPCZVOIRIF-SVYQBANQSA-N
XLogP0.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfolane
CID 31347
Tetramethylene sulfoxide
CID 1128
Propyl sulfone
CID 11709
Isopropyl sulfone
CID 96232
3-Methylsulfolane
CID 79119
Methyl propyl sulfone
CID 121250
2-Methyltetrahydrothiophene 1,1-dioxide
CID 549931
3-Iodotetrahydrothiophene 1,1-dioxide
CID 205043
1,1-Dioxo-1lambda6-thiolane-3-sulfonyl chloride
CID 2772263
Butyl ethyl sulfone
CID 520509
Ethyl Isopropyl Sulfone
CID 21719919
Butane, 1-(methylsulfonyl)-
CID 139046

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide?
The IUPAC name of 2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide (CID 2733922) is 2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide is [2H]C1([2H])C([2H])([2H])C([2H])([2H])S(=O)(=O)C1([2H])[2H].
What is the InChIKey of 2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide?
The InChIKey is HXJUTPCZVOIRIF-SVYQBANQSA-N. The full InChI is InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2/i1D2,2D2,3D2,4D2.
What are the key properties of 2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide?
2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide has a molecular weight of 128.22 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide is sourced from PubChem (CID 2733922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).