2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide

C8H14O2S — CID 176603933

IUPAC2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide
SMILESCC(C)=COC(C)C1CS1=O
InChIInChI=1S/C8H14O2S/c1-6(2)4-10-7(3)8-5-11(8)9/h4,7-8H,5H2,1-3H3
InChIKeyCJYFFVDKUUXJPY-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.45
Rot. Bonds3

About 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide

2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide (PubChem CID 176603933) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide.

Molecular Properties

Compound Name2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide
PubChem CID176603933
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide
SMILESCC(C)=COC(C)C1CS1=O
InChIInChI=1S/C8H14O2S/c1-6(2)4-10-7(3)8-5-11(8)9/h4,7-8H,5H2,1-3H3
InChIKeyCJYFFVDKUUXJPY-UHFFFAOYSA-N
XLogP1.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.45
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-[2-(2-Methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide
CID 176603229
2-[2-(2-Methylprop-1-enoxy)ethyl]thiirane 1-oxide
CID 176603354
2-(2-Methylprop-1-enoxymethyl)thiirane 1-oxide
CID 176603453
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide
CID 176603493
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiirane 1,1-dioxide
CID 176603568
2-[3-(2-Methylprop-1-enoxy)propyl]thiirane 1-oxide
CID 176603958
2-[1-(2-Methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide
CID 176604293
2-[1-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide
CID 176604414
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiirane 1-oxide
CID 176604546
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiirane 1-oxide
CID 176604828
2-[1-(2-Methylprop-1-enoxy)ethyl]thiirane
CID 176605087
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane 1-oxide
CID 176605368

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide?
The IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide (CID 176603933) is 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide.
What is the SMILES notation for 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide?
The canonical SMILES for 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide is CC(C)=COC(C)C1CS1=O.
What is the InChIKey of 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide?
The InChIKey is CJYFFVDKUUXJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-6(2)4-10-7(3)8-5-11(8)9/h4,7-8H,5H2,1-3H3.
What are the key properties of 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide?
2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide has a molecular weight of 174.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide is sourced from PubChem (CID 176603933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).