1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide

C6H10O4S2 — CID 89405423

IUPAC1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide
SMILESO=S1(=O)CS(=O)(=O)C12CCCC2
InChIInChI=1S/C6H10O4S2/c7-11(8)5-12(9,10)6(11)3-1-2-4-6/h1-5H2
InChIKeyQXSRXIQXBHYBBC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.06
Rot. Bonds

About 1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide

1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide (PubChem CID 89405423) has the molecular formula C6H10O4S2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide
PubChem CID89405423
Molecular FormulaC6H10O4S2
Molecular Weight210.28 g/mol
Exact Mass210.00
IUPAC Name1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide
SMILESO=S1(=O)CS(=O)(=O)C12CCCC2
InChIInChI=1S/C6H10O4S2/c7-11(8)5-12(9,10)6(11)3-1-2-4-6/h1-5H2
InChIKeyQXSRXIQXBHYBBC-UHFFFAOYSA-N
XLogP0.06
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylsulfanyl-1-methylsulfonylcyclopentane
CID 12759860
1lambda6,8lambda6-Dithiaspiro[3.4]octane 1,1,8,8-tetraoxide
CID 87642439
2-Butyl-1,3-dithietane 1,1,3,3-tetraoxide
CID 90302849

Frequently Asked Questions

What is the IUPAC name of 1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide?
The IUPAC name of 1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide (CID 89405423) is 1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide.
What is the SMILES notation for 1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide?
The canonical SMILES for 1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide is O=S1(=O)CS(=O)(=O)C12CCCC2.
What is the InChIKey of 1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide?
The InChIKey is QXSRXIQXBHYBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S2/c7-11(8)5-12(9,10)6(11)3-1-2-4-6/h1-5H2.
What are the key properties of 1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide?
1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide has a molecular weight of 210.28 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1λ6,3λ6-dithiaspiro[3.4]octane 1,1,3,3-tetraoxide is sourced from PubChem (CID 89405423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).