2-(ethenoxymethyl)-2-ethylthiirane

C7H12OS — CID 176604587

IUPAC2-(ethenoxymethyl)-2-ethylthiirane
SMILESC=COCC1(CC)CS1
InChIInChI=1S/C7H12OS/c1-3-7(6-9-7)5-8-4-2/h4H,2-3,5-6H2,1H3
InChIKeyPWRQLGYASNIZFV-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.04
Rot. Bonds4

About 2-(ethenoxymethyl)-2-ethylthiirane

2-(ethenoxymethyl)-2-ethylthiirane (PubChem CID 176604587) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-ethylthiirane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-ethylthiirane
PubChem CID176604587
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-(ethenoxymethyl)-2-ethylthiirane
SMILESC=COCC1(CC)CS1
InChIInChI=1S/C7H12OS/c1-3-7(6-9-7)5-8-4-2/h4H,2-3,5-6H2,1H3
InChIKeyPWRQLGYASNIZFV-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-ethylthiirane?
The IUPAC name of 2-(ethenoxymethyl)-2-ethylthiirane (CID 176604587) is 2-(ethenoxymethyl)-2-ethylthiirane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-ethylthiirane?
The canonical SMILES for 2-(ethenoxymethyl)-2-ethylthiirane is C=COCC1(CC)CS1.
What is the InChIKey of 2-(ethenoxymethyl)-2-ethylthiirane?
The InChIKey is PWRQLGYASNIZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-3-7(6-9-7)5-8-4-2/h4H,2-3,5-6H2,1H3.
What are the key properties of 2-(ethenoxymethyl)-2-ethylthiirane?
2-(ethenoxymethyl)-2-ethylthiirane has a molecular weight of 144.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-ethylthiirane is sourced from PubChem (CID 176604587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).