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

C4H8O6S2 — CID 58781649

IUPAC3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
SMILESCC1(C)S(=O)(=O)OCOS1(=O)=O
InChIInChI=1S/C4H8O6S2/c1-4(2)11(5,6)9-3-10-12(4,7)8/h3H2,1-2H3
InChIKeySDQNIOSHZAMMDT-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.61
Rot. Bonds

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

3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide (PubChem CID 58781649) has the molecular formula C4H8O6S2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide.

Molecular Properties

Compound Name3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
PubChem CID58781649
Molecular FormulaC4H8O6S2
Molecular Weight216.24 g/mol
Exact Mass215.98
IUPAC Name3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
SMILESCC1(C)S(=O)(=O)OCOS1(=O)=O
InChIInChI=1S/C4H8O6S2/c1-4(2)11(5,6)9-3-10-12(4,7)8/h3H2,1-2H3
InChIKeySDQNIOSHZAMMDT-UHFFFAOYSA-N
XLogP-0.61
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 ≤ 5-0.61
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 3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The IUPAC name of 3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide (CID 58781649) is 3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide.
What is the SMILES notation for 3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The canonical SMILES for 3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide is CC1(C)S(=O)(=O)OCOS1(=O)=O.
What is the InChIKey of 3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The InChIKey is SDQNIOSHZAMMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O6S2/c1-4(2)11(5,6)9-3-10-12(4,7)8/h3H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide has a molecular weight of 216.24 g/mol, XLogP of -0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide is sourced from PubChem (CID 58781649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).