2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide

C8H14O3S2 — CID 176603558

IUPAC2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide
SMILESC=COCCC1CS(=O)CCS1=O
InChIInChI=1S/C8H14O3S2/c1-2-11-4-3-8-7-12(9)5-6-13(8)10/h2,8H,1,3-7H2
InChIKeySSXMZGXOXOUZQP-UHFFFAOYSA-N
MW222.33 g/mol
LogP0.42
Rot. Bonds4

About 2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide

2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide (PubChem CID 176603558) has the molecular formula C8H14O3S2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide
PubChem CID176603558
Molecular FormulaC8H14O3S2
Molecular Weight222.33 g/mol
Exact Mass222.04
IUPAC Name2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide
SMILESC=COCCC1CS(=O)CCS1=O
InChIInChI=1S/C8H14O3S2/c1-2-11-4-3-8-7-12(9)5-6-13(8)10/h2,8H,1,3-7H2
InChIKeySSXMZGXOXOUZQP-UHFFFAOYSA-N
XLogP0.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(Ethenoxymethyl)thiane 1-oxide
CID 176602942
2-(2-Ethenoxyethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176602971
2-(2-Ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603767
2-(Ethenoxymethyl)thiane 1-oxide
CID 176603837
2-(1-Ethenoxyethyl)-1,4-dithiane 1,4-dioxide
CID 176604429
2-(Ethenoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176604446
2-(3-Ethenoxypropyl)-1,4-dithiane 1,4-dioxide
CID 176604632
2-(2-Ethenoxyethyl)-1,4-dithiane
CID 176604659
2-(Ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604690
2-(3-Ethenoxypropyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604721
2-(Ethenoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide
CID 176604763
2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane 1,4-dioxide
CID 176604952

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide?
The IUPAC name of 2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide (CID 176603558) is 2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide.
What is the SMILES notation for 2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide?
The canonical SMILES for 2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide is C=COCCC1CS(=O)CCS1=O.
What is the InChIKey of 2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide?
The InChIKey is SSXMZGXOXOUZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S2/c1-2-11-4-3-8-7-12(9)5-6-13(8)10/h2,8H,1,3-7H2.
What are the key properties of 2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide?
2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide has a molecular weight of 222.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethyl)-1,4-dithiane 1,4-dioxide is sourced from PubChem (CID 176603558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).