2-(ethenoxymethyl)thiirane 1,1-dioxide

C5H8O3S — CID 176603680

IUPAC2-(ethenoxymethyl)thiirane 1,1-dioxide
SMILESC=COCC1CS1(=O)=O
InChIInChI=1S/C5H8O3S/c1-2-8-3-5-4-9(5,6)7/h2,5H,1,3-4H2
InChIKeyFBOVSMBBWDICJY-UHFFFAOYSA-N
MW148.18 g/mol
LogP-0.06
Rot. Bonds3

About 2-(ethenoxymethyl)thiirane 1,1-dioxide

2-(ethenoxymethyl)thiirane 1,1-dioxide (PubChem CID 176603680) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-(ethenoxymethyl)thiirane 1,1-dioxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)thiirane 1,1-dioxide
PubChem CID176603680
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name2-(ethenoxymethyl)thiirane 1,1-dioxide
SMILESC=COCC1CS1(=O)=O
InChIInChI=1S/C5H8O3S/c1-2-8-3-5-4-9(5,6)7/h2,5H,1,3-4H2
InChIKeyFBOVSMBBWDICJY-UHFFFAOYSA-N
XLogP-0.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethenoxypropyl)thiirane 1,1-dioxide
CID 176603438
[4-(ethenoxymethyl)cyclohexyl]methyl formate
CID 139924900
4-(ethenoxymethyl)thiane 1-oxide
CID 176602942
1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane
CID 22917925
4-(ethenoxymethyl)thiane
CID 176603153
[4-(ethenoxymethyl)cyclohexyl]methanol;hydrate
CID 89350942
3-(ethenoxymethyl)-1-methylpiperidine
CID 122664385
2-(ethenoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176605023
2-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603340
[4-(ethenoxymethyl)cyclohexyl]methyl propanoate
CID 139924824
(3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide
CID 7038885
2-(2-ethenoxyethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176605286

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)thiirane 1,1-dioxide?
The IUPAC name of 2-(ethenoxymethyl)thiirane 1,1-dioxide (CID 176603680) is 2-(ethenoxymethyl)thiirane 1,1-dioxide.
What is the SMILES notation for 2-(ethenoxymethyl)thiirane 1,1-dioxide?
The canonical SMILES for 2-(ethenoxymethyl)thiirane 1,1-dioxide is C=COCC1CS1(=O)=O.
What is the InChIKey of 2-(ethenoxymethyl)thiirane 1,1-dioxide?
The InChIKey is FBOVSMBBWDICJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c1-2-8-3-5-4-9(5,6)7/h2,5H,1,3-4H2.
What are the key properties of 2-(ethenoxymethyl)thiirane 1,1-dioxide?
2-(ethenoxymethyl)thiirane 1,1-dioxide has a molecular weight of 148.18 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)thiirane 1,1-dioxide is sourced from PubChem (CID 176603680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).