2-(ethenoxymethyl)thiirane 1-oxide

C5H8O2S — CID 176603612

IUPAC2-(ethenoxymethyl)thiirane 1-oxide
SMILESC=COCC1CS1=O
InChIInChI=1S/C5H8O2S/c1-2-7-3-5-4-8(5)6/h2,5H,1,3-4H2
InChIKeySHMKWLXOUYUUQT-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.28
Rot. Bonds3

About 2-(ethenoxymethyl)thiirane 1-oxide

2-(ethenoxymethyl)thiirane 1-oxide (PubChem CID 176603612) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 2-(ethenoxymethyl)thiirane 1-oxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)thiirane 1-oxide
PubChem CID176603612
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name2-(ethenoxymethyl)thiirane 1-oxide
SMILESC=COCC1CS1=O
InChIInChI=1S/C5H8O2S/c1-2-7-3-5-4-8(5)6/h2,5H,1,3-4H2
InChIKeySHMKWLXOUYUUQT-UHFFFAOYSA-N
XLogP0.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(ethenoxymethyl)thiirane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Ethenoxymethyl)thiirane
CID 11643927
2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide
CID 176602966
2-(Ethenoxymethyl)-2-methylthiirane 1-oxide
CID 176603132
2-(2-Ethenoxyethyl)thiirane 1,1-dioxide
CID 176603196
2-(Ethenoxymethyl)thiirane 1,1-dioxide
CID 176603680
2-(2-Ethenoxyethyl)-2-methylthiirane 1-oxide
CID 176603787
2-(3-Ethenoxypropyl)thiirane 1-oxide
CID 176604281
2-(Ethenoxymethyl)-2-ethylthiirane 1-oxide
CID 176604523
2-(1-Ethenoxyethyl)thiirane 1-oxide
CID 176604610
2-(2-Ethenoxyethyl)thiirane 1-oxide
CID 176605056
2-(Ethenoxymethyl)-2-methylthiirane 1,1-dioxide
CID 176605130

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)thiirane 1-oxide?
The IUPAC name of 2-(ethenoxymethyl)thiirane 1-oxide (CID 176603612) is 2-(ethenoxymethyl)thiirane 1-oxide.
What is the SMILES notation for 2-(ethenoxymethyl)thiirane 1-oxide?
The canonical SMILES for 2-(ethenoxymethyl)thiirane 1-oxide is C=COCC1CS1=O.
What is the InChIKey of 2-(ethenoxymethyl)thiirane 1-oxide?
The InChIKey is SHMKWLXOUYUUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c1-2-7-3-5-4-8(5)6/h2,5H,1,3-4H2.
What are the key properties of 2-(ethenoxymethyl)thiirane 1-oxide?
2-(ethenoxymethyl)thiirane 1-oxide has a molecular weight of 132.18 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)thiirane 1-oxide is sourced from PubChem (CID 176603612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).