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

C5H10O6S2 — CID 118655549

IUPAC3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
SMILESCC1OS(=O)(=O)C(C)(C)S(=O)(=O)O1
InChIInChI=1S/C5H10O6S2/c1-4-10-12(6,7)5(2,3)13(8,9)11-4/h4H,1-3H3
InChIKeyJFLFHUWWSYUALG-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.23
Rot. Bonds

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

3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide (PubChem CID 118655549) has the molecular formula C5H10O6S2 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide.

Molecular Properties

Compound Name3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
PubChem CID118655549
Molecular FormulaC5H10O6S2
Molecular Weight230.26 g/mol
Exact Mass229.99
IUPAC Name3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
SMILESCC1OS(=O)(=O)C(C)(C)S(=O)(=O)O1
InChIInChI=1S/C5H10O6S2/c1-4-10-12(6,7)5(2,3)13(8,9)11-4/h4H,1-3H3
InChIKeyJFLFHUWWSYUALG-UHFFFAOYSA-N
XLogP-0.23
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The IUPAC name of 3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide (CID 118655549) is 3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide.
What is the SMILES notation for 3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The canonical SMILES for 3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide is CC1OS(=O)(=O)C(C)(C)S(=O)(=O)O1.
What is the InChIKey of 3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The InChIKey is JFLFHUWWSYUALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O6S2/c1-4-10-12(6,7)5(2,3)13(8,9)11-4/h4H,1-3H3.
What are the key properties of 3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide has a molecular weight of 230.26 g/mol, XLogP of -0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide is sourced from PubChem (CID 118655549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).