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

C4H8O6S2 — CID 87546309

IUPAC3-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
SMILESCCC1S(=O)(=O)OCOS1(=O)=O
InChIInChI=1S/C4H8O6S2/c1-2-4-11(5,6)9-3-10-12(4,7)8/h4H,2-3H2,1H3
InChIKeyANVSNPQWCRLXSR-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.61
Rot. Bonds1

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

3-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide (PubChem CID 87546309) has the molecular formula C4H8O6S2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide.

Molecular Properties

Compound Name3-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
PubChem CID87546309
Molecular FormulaC4H8O6S2
Molecular Weight216.24 g/mol
Exact Mass215.98
IUPAC Name3-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
SMILESCCC1S(=O)(=O)OCOS1(=O)=O
InChIInChI=1S/C4H8O6S2/c1-2-4-11(5,6)9-3-10-12(4,7)8/h4H,2-3H2,1H3
InChIKeyANVSNPQWCRLXSR-UHFFFAOYSA-N
XLogP-0.61
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
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-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The IUPAC name of 3-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide (CID 87546309) is 3-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide.
What is the SMILES notation for 3-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The canonical SMILES for 3-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide is CCC1S(=O)(=O)OCOS1(=O)=O.
What is the InChIKey of 3-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The InChIKey is ANVSNPQWCRLXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O6S2/c1-2-4-11(5,6)9-3-10-12(4,7)8/h4H,2-3H2,1H3.
What are the key properties of 3-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
3-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide has a molecular weight of 216.24 g/mol, XLogP of -0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide is sourced from PubChem (CID 87546309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).