2-(ethenoxymethyl)thiirane

C5H8OS — CID 11643927

IUPAC2-(ethenoxymethyl)thiirane
SMILESC=COCC1CS1
InChIInChI=1S/C5H8OS/c1-2-6-3-5-4-7-5/h2,5H,1,3-4H2
InChIKeyLLKHEAXFOVJAGV-UHFFFAOYSA-N
MW116.19 g/mol
LogP1.26
Rot. Bonds3

About 2-(ethenoxymethyl)thiirane

2-(ethenoxymethyl)thiirane (PubChem CID 11643927) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 2-(ethenoxymethyl)thiirane.

Molecular Properties

Compound Name2-(ethenoxymethyl)thiirane
PubChem CID11643927
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name2-(ethenoxymethyl)thiirane
SMILESC=COCC1CS1
InChIInChI=1S/C5H8OS/c1-2-6-3-5-4-7-5/h2,5H,1,3-4H2
InChIKeyLLKHEAXFOVJAGV-UHFFFAOYSA-N
XLogP1.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.26
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'}

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Related Compounds

Sulfide, methylvinyloxyethyl-
CID 81083
(E)-1-Ethoxy-2-(ethylthio)ethene
CID 5463286
2-(Vinyloxyethoxy)meth-ylthiirane
CID 14250185
((2-(Ethenyloxy)ethyl)thio)ethene
CID 13149756
3-Methyl-2,3-dihydro-1,4-oxathiine
CID 58183442
2-[(Ethenylsulfanyl)methyl]oxirane
CID 14572693
1-Ethoxy-2-ethylthioethene
CID 143081
6,7-dihydro-5H-1,4-oxathiepine
CID 58183576
1-Ethenoxy-2-ethylsulfanylethane;rutherfordium
CID 59029822
2-(2-Methoxyethenylsulfanyl)-2-methylpropane
CID 123817305
Ethenoxymethylsulfanylethane
CID 140226863
Methoxyethene;methylsulfanylethane
CID 158727445

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)thiirane?
The IUPAC name of 2-(ethenoxymethyl)thiirane (CID 11643927) is 2-(ethenoxymethyl)thiirane.
What is the SMILES notation for 2-(ethenoxymethyl)thiirane?
The canonical SMILES for 2-(ethenoxymethyl)thiirane is C=COCC1CS1.
What is the InChIKey of 2-(ethenoxymethyl)thiirane?
The InChIKey is LLKHEAXFOVJAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-2-6-3-5-4-7-5/h2,5H,1,3-4H2.
What are the key properties of 2-(ethenoxymethyl)thiirane?
2-(ethenoxymethyl)thiirane has a molecular weight of 116.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)thiirane is sourced from PubChem (CID 11643927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).