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

C7H12O3S2 — CID 176605216

IUPAC2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide
SMILESC=COCC1CS(=O)CCS1=O
InChIInChI=1S/C7H12O3S2/c1-2-10-5-7-6-11(8)3-4-12(7)9/h2,7H,1,3-6H2
InChIKeyNRXVXSAZRMHBID-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.03
Rot. Bonds3

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

2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide (PubChem CID 176605216) has the molecular formula C7H12O3S2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide
PubChem CID176605216
Molecular FormulaC7H12O3S2
Molecular Weight208.30 g/mol
Exact Mass208.02
IUPAC Name2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide
SMILESC=COCC1CS(=O)CCS1=O
InChIInChI=1S/C7H12O3S2/c1-2-10-5-7-6-11(8)3-4-12(7)9/h2,7H,1,3-6H2
InChIKeyNRXVXSAZRMHBID-UHFFFAOYSA-N
XLogP0.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Ethenoxyethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176602971
2-(2-Ethenoxyethyl)-1,4-dithiane 1,4-dioxide
CID 176603558
2-(2-Ethenoxyethyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603767
2-(Ethenoxymethyl)-1,4-dithiane
CID 176604042
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-(Ethenoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604690
2-(Ethenoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide
CID 176604763
2-(Ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176605023
2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane 1,4-dioxide
CID 176605342

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide?
The IUPAC name of 2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide (CID 176605216) is 2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide.
What is the SMILES notation for 2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide?
The canonical SMILES for 2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide is C=COCC1CS(=O)CCS1=O.
What is the InChIKey of 2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide?
The InChIKey is NRXVXSAZRMHBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3S2/c1-2-10-5-7-6-11(8)3-4-12(7)9/h2,7H,1,3-6H2.
What are the key properties of 2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide?
2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide has a molecular weight of 208.30 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-1,4-dithiane 1,4-dioxide is sourced from PubChem (CID 176605216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).