2-(1-ethenoxyethyl)thiirane 1-oxide

C6H10O2S — CID 176604610

IUPAC2-(1-ethenoxyethyl)thiirane 1-oxide
SMILESC=COC(C)C1CS1=O
InChIInChI=1S/C6H10O2S/c1-3-8-5(2)6-4-9(6)7/h3,5-6H,1,4H2,2H3
InChIKeyITAXPFXQRJNYTA-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.67
Rot. Bonds3

About 2-(1-ethenoxyethyl)thiirane 1-oxide

2-(1-ethenoxyethyl)thiirane 1-oxide (PubChem CID 176604610) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-(1-ethenoxyethyl)thiirane 1-oxide.

Molecular Properties

Compound Name2-(1-ethenoxyethyl)thiirane 1-oxide
PubChem CID176604610
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2-(1-ethenoxyethyl)thiirane 1-oxide
SMILESC=COC(C)C1CS1=O
InChIInChI=1S/C6H10O2S/c1-3-8-5(2)6-4-9(6)7/h3,5-6H,1,4H2,2H3
InChIKeyITAXPFXQRJNYTA-UHFFFAOYSA-N
XLogP0.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.67
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

2,3-Epoxypropyl butyl sulfoxide
CID 12525177
2-(Ethylsulfinylmethyl)oxirane
CID 13284952
2-(Ethenylsulfonylmethyl)oxirane
CID 20295713
2-Methyl-3-propan-2-ylsulfinyloxirane
CID 58911956
2-Methyl-3-methylsulfinyloxirane
CID 88871029
2-[(Methylsulfinyl)methyl]oxirane
CID 115474758
2-Ethenoxy-1-methylsulfonylpropane
CID 156673776
2-(Ethenoxymethyl)-2-methylthiirane 1-oxide
CID 176603132
2-(1-Ethenoxyethyl)thiirane 1,1-dioxide
CID 176603564
2-(Ethenoxymethyl)thiirane 1-oxide
CID 176603612
2-(2-Ethenoxyethyl)-2-methylthiirane 1-oxide
CID 176603787
2-[1-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide
CID 176604414

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxyethyl)thiirane 1-oxide?
The IUPAC name of 2-(1-ethenoxyethyl)thiirane 1-oxide (CID 176604610) is 2-(1-ethenoxyethyl)thiirane 1-oxide.
What is the SMILES notation for 2-(1-ethenoxyethyl)thiirane 1-oxide?
The canonical SMILES for 2-(1-ethenoxyethyl)thiirane 1-oxide is C=COC(C)C1CS1=O.
What is the InChIKey of 2-(1-ethenoxyethyl)thiirane 1-oxide?
The InChIKey is ITAXPFXQRJNYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-3-8-5(2)6-4-9(6)7/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-(1-ethenoxyethyl)thiirane 1-oxide?
2-(1-ethenoxyethyl)thiirane 1-oxide has a molecular weight of 146.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxyethyl)thiirane 1-oxide is sourced from PubChem (CID 176604610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).