2-(1-ethenoxyethyl)thiirane 1,1-dioxide

C6H10O3S — CID 176603564

IUPAC2-(1-ethenoxyethyl)thiirane 1,1-dioxide
SMILESC=COC(C)C1CS1(=O)=O
InChIInChI=1S/C6H10O3S/c1-3-9-5(2)6-4-10(6,7)8/h3,5-6H,1,4H2,2H3
InChIKeyGYHDQYVIXMWSQS-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.33
Rot. Bonds3

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

2-(1-ethenoxyethyl)thiirane 1,1-dioxide (PubChem CID 176603564) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-(1-ethenoxyethyl)thiirane 1,1-dioxide.

Molecular Properties

Compound Name2-(1-ethenoxyethyl)thiirane 1,1-dioxide
PubChem CID176603564
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-(1-ethenoxyethyl)thiirane 1,1-dioxide
SMILESC=COC(C)C1CS1(=O)=O
InChIInChI=1S/C6H10O3S/c1-3-9-5(2)6-4-10(6,7)8/h3,5-6H,1,4H2,2H3
InChIKeyGYHDQYVIXMWSQS-UHFFFAOYSA-N
XLogP0.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.33
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

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2-(Prop-2-enylsulfonylmethyl)oxirane
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2-(Ethylsulfonylmethylidene)oxirane
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1-Ethenylsulfonyl-3-methoxypropane
CID 63857366
1-Ethenylsulfonylethene;2-methyloxirane
CID 88433686
1-Ethenoxy-3-methylsulfonylpropane
CID 118629986
2-(2-Ethenylsulfonylethoxy)propane
CID 121263534
2-Ethenoxy-1-methylsulfonylpropane
CID 156673776
2-Methyl-3-propan-2-ylsulfonyloxirane
CID 162494821

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxyethyl)thiirane 1,1-dioxide?
The IUPAC name of 2-(1-ethenoxyethyl)thiirane 1,1-dioxide (CID 176603564) is 2-(1-ethenoxyethyl)thiirane 1,1-dioxide.
What is the SMILES notation for 2-(1-ethenoxyethyl)thiirane 1,1-dioxide?
The canonical SMILES for 2-(1-ethenoxyethyl)thiirane 1,1-dioxide is C=COC(C)C1CS1(=O)=O.
What is the InChIKey of 2-(1-ethenoxyethyl)thiirane 1,1-dioxide?
The InChIKey is GYHDQYVIXMWSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-3-9-5(2)6-4-10(6,7)8/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-(1-ethenoxyethyl)thiirane 1,1-dioxide?
2-(1-ethenoxyethyl)thiirane 1,1-dioxide has a molecular weight of 162.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxyethyl)thiirane 1,1-dioxide is sourced from PubChem (CID 176603564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).