1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide

C2H4O6S2 — CID 175415847

IUPAC1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide
SMILESO=S1(=O)OCCOS1(=O)=O
InChIInChI=1S/C2H4O6S2/c3-9(4)7-1-2-8-10(9,5)6/h1-2H2
InChIKeyLERHLKVHNFJSLI-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.39
Rot. Bonds

About 1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide

1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide (PubChem CID 175415847) has the molecular formula C2H4O6S2 and a molecular weight of 188.18 g/mol. Its IUPAC name is 1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide.

Molecular Properties

Compound Name1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide
PubChem CID175415847
Molecular FormulaC2H4O6S2
Molecular Weight188.18 g/mol
Exact Mass187.94
IUPAC Name1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide
SMILESO=S1(=O)OCCOS1(=O)=O
InChIInChI=1S/C2H4O6S2/c3-9(4)7-1-2-8-10(9,5)6/h1-2H2
InChIKeyLERHLKVHNFJSLI-UHFFFAOYSA-N
XLogP-1.39
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide?
The IUPAC name of 1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide (CID 175415847) is 1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide.
What is the SMILES notation for 1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide?
The canonical SMILES for 1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide is O=S1(=O)OCCOS1(=O)=O.
What is the InChIKey of 1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide?
The InChIKey is LERHLKVHNFJSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O6S2/c3-9(4)7-1-2-8-10(9,5)6/h1-2H2.
What are the key properties of 1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide?
1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide has a molecular weight of 188.18 g/mol, XLogP of -1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,2,3-dioxadithiane 2,2,3,3-tetraoxide is sourced from PubChem (CID 175415847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).