6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide

C6H10O12S4 — CID 154586607

IUPAC6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
SMILESO=S1(=O)CS(=O)(=O)OC(CCC2OS(=O)(=O)CS(=O)(=O)O2)O1
InChIInChI=1S/C6H10O12S4/c7-19(8)3-20(9,10)16-5(15-19)1-2-6-17-21(11,12)4-22(13,14)18-6/h5-6H,1-4H2
InChIKeyAZSIEIJUJURVJA-UHFFFAOYSA-N
MW402.40 g/mol
LogP-2.25
Rot. Bonds3

About 6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide

6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide (PubChem CID 154586607) has the molecular formula C6H10O12S4 and a molecular weight of 402.40 g/mol. Its IUPAC name is 6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide.

Molecular Properties

Compound Name6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
PubChem CID154586607
Molecular FormulaC6H10O12S4
Molecular Weight402.40 g/mol
Exact Mass401.91
IUPAC Name6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
SMILESO=S1(=O)CS(=O)(=O)OC(CCC2OS(=O)(=O)CS(=O)(=O)O2)O1
InChIInChI=1S/C6H10O12S4/c7-19(8)3-20(9,10)16-5(15-19)1-2-6-17-21(11,12)4-22(13,14)18-6/h5-6H,1-4H2
InChIKeyAZSIEIJUJURVJA-UHFFFAOYSA-N
XLogP-2.25
TPSA173.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.40
LogP ≤ 5-2.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide with MolForge

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Related Compounds

6-[(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)methyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 129060929
(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide
CID 11275189
5-chlorooxathiolane 2,2-dioxide
CID 118871827
6-octadecyloxathiane 2,2-dioxide
CID 86735404
[(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol
CID 15417110
4,6-dimethyloxathiane 2,2-dioxide
CID 88890246
3-hexyloxathiirane 2,2-dioxide
CID 123244013
4,7-dimethyl-1,3,2-dioxathiepane 2,2-dioxide
CID 18615681
5-methyloxathiepane 2,2-dioxide
CID 89251453
2-methyl-1,3-dithietane 1,1,3,3-tetraoxide
CID 89335035
4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide
CID 146363994
1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one
CID 175563848

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The IUPAC name of 6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide (CID 154586607) is 6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide.
What is the SMILES notation for 6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The canonical SMILES for 6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide is O=S1(=O)CS(=O)(=O)OC(CCC2OS(=O)(=O)CS(=O)(=O)O2)O1.
What is the InChIKey of 6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The InChIKey is AZSIEIJUJURVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O12S4/c7-19(8)3-20(9,10)16-5(15-19)1-2-6-17-21(11,12)4-22(13,14)18-6/h5-6H,1-4H2.
What are the key properties of 6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide has a molecular weight of 402.40 g/mol, XLogP of -2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide is sourced from PubChem (CID 154586607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).