1,5,2,4-dioxadithiane 2,4-dioxide

C2H4O4S2 — CID 175483562

IUPAC1,5,2,4-dioxadithiane 2,4-dioxide
SMILESO=S1CS(=O)OCO1
InChIInChI=1S/C2H4O4S2/c3-7-2-8(4)6-1-5-7/h1-2H2
InChIKeyGGZMBOUDLZQHHM-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.72
Rot. Bonds

About 1,5,2,4-dioxadithiane 2,4-dioxide

1,5,2,4-dioxadithiane 2,4-dioxide (PubChem CID 175483562) has the molecular formula C2H4O4S2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1,5,2,4-dioxadithiane 2,4-dioxide.

Molecular Properties

Compound Name1,5,2,4-dioxadithiane 2,4-dioxide
PubChem CID175483562
Molecular FormulaC2H4O4S2
Molecular Weight156.18 g/mol
Exact Mass155.96
IUPAC Name1,5,2,4-dioxadithiane 2,4-dioxide
SMILESO=S1CS(=O)OCO1
InChIInChI=1S/C2H4O4S2/c3-7-2-8(4)6-1-5-7/h1-2H2
InChIKeyGGZMBOUDLZQHHM-UHFFFAOYSA-N
XLogP-0.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5,2,4-dioxadithiane 2,4-dioxide?
The IUPAC name of 1,5,2,4-dioxadithiane 2,4-dioxide (CID 175483562) is 1,5,2,4-dioxadithiane 2,4-dioxide.
What is the SMILES notation for 1,5,2,4-dioxadithiane 2,4-dioxide?
The canonical SMILES for 1,5,2,4-dioxadithiane 2,4-dioxide is O=S1CS(=O)OCO1.
What is the InChIKey of 1,5,2,4-dioxadithiane 2,4-dioxide?
The InChIKey is GGZMBOUDLZQHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O4S2/c3-7-2-8(4)6-1-5-7/h1-2H2.
What are the key properties of 1,5,2,4-dioxadithiane 2,4-dioxide?
1,5,2,4-dioxadithiane 2,4-dioxide has a molecular weight of 156.18 g/mol, XLogP of -0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,2,4-dioxadithiane 2,4-dioxide is sourced from PubChem (CID 175483562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).