2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide

C7H12O2S — CID 176603787

IUPAC2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide
SMILESC=COCCC1(C)CS1=O
InChIInChI=1S/C7H12O2S/c1-3-9-5-4-7(2)6-10(7)8/h3H,1,4-6H2,2H3
InChIKeyYFDSOIRUMAHUTB-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.06
Rot. Bonds4

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

2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide (PubChem CID 176603787) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide
PubChem CID176603787
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide
SMILESC=COCCC1(C)CS1=O
InChIInChI=1S/C7H12O2S/c1-3-9-5-4-7(2)6-10(7)8/h3H,1,4-6H2,2H3
InChIKeyYFDSOIRUMAHUTB-UHFFFAOYSA-N
XLogP1.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(Ethenoxymethyl)-2-methylthiirane 1-oxide
CID 176603132
2-(2-Ethenoxyethyl)thiirane 1,1-dioxide
CID 176603196
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide
CID 176603552
2-(Ethenoxymethyl)thiirane 1-oxide
CID 176603612
2-(Ethenoxymethyl)-2-ethylthiirane 1,1-dioxide
CID 176603722
2-(3-Ethenoxypropyl)thiirane 1-oxide
CID 176604281
2-(2-Ethenoxyethyl)-2-methylthiirane 1,1-dioxide
CID 176604378
2-(Ethenoxymethyl)-2-ethylthiirane 1-oxide
CID 176604523
2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide
CID 176604585
2-(Ethenoxymethyl)-2-ethylthiirane
CID 176604587
2-(1-Ethenoxyethyl)thiirane 1-oxide
CID 176604610
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide
CID 176604713

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide?
The IUPAC name of 2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide (CID 176603787) is 2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide.
What is the SMILES notation for 2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide?
The canonical SMILES for 2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide is C=COCCC1(C)CS1=O.
What is the InChIKey of 2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide?
The InChIKey is YFDSOIRUMAHUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-3-9-5-4-7(2)6-10(7)8/h3H,1,4-6H2,2H3.
What are the key properties of 2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide?
2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide has a molecular weight of 160.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethyl)-2-methylthiirane 1-oxide is sourced from PubChem (CID 176603787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).