3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide

C4H8O6S2 — CID 54523340

IUPAC3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
SMILESCC1OS(=O)(=O)C(C)S(=O)(=O)O1
InChIInChI=1S/C4H8O6S2/c1-3-9-11(5,6)4(2)12(7,8)10-3/h3-4H,1-2H3
InChIKeyYRJYKVWHVIWVDP-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.62
Rot. Bonds

About 3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide

3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide (PubChem CID 54523340) has the molecular formula C4H8O6S2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide.

Molecular Properties

Compound Name3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
PubChem CID54523340
Molecular FormulaC4H8O6S2
Molecular Weight216.24 g/mol
Exact Mass215.98
IUPAC Name3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
SMILESCC1OS(=O)(=O)C(C)S(=O)(=O)O1
InChIInChI=1S/C4H8O6S2/c1-3-9-11(5,6)4(2)12(7,8)10-3/h3-4H,1-2H3
InChIKeyYRJYKVWHVIWVDP-UHFFFAOYSA-N
XLogP-0.62
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The IUPAC name of 3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide (CID 54523340) is 3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide.
What is the SMILES notation for 3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The canonical SMILES for 3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide is CC1OS(=O)(=O)C(C)S(=O)(=O)O1.
What is the InChIKey of 3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The InChIKey is YRJYKVWHVIWVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O6S2/c1-3-9-11(5,6)4(2)12(7,8)10-3/h3-4H,1-2H3.
What are the key properties of 3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide has a molecular weight of 216.24 g/mol, XLogP of -0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide is sourced from PubChem (CID 54523340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).