2-(ethenoxymethyl)-2-methylthiirane

C6H10OS — CID 176604483

IUPAC2-(ethenoxymethyl)-2-methylthiirane
SMILESC=COCC1(C)CS1
InChIInChI=1S/C6H10OS/c1-3-7-4-6(2)5-8-6/h3H,1,4-5H2,2H3
InChIKeyXNVUDHAIVCKFKS-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.65
Rot. Bonds3

About 2-(ethenoxymethyl)-2-methylthiirane

2-(ethenoxymethyl)-2-methylthiirane (PubChem CID 176604483) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-methylthiirane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-methylthiirane
PubChem CID176604483
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2-(ethenoxymethyl)-2-methylthiirane
SMILESC=COCC1(C)CS1
InChIInChI=1S/C6H10OS/c1-3-7-4-6(2)5-8-6/h3H,1,4-5H2,2H3
InChIKeyXNVUDHAIVCKFKS-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.65
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

Sulfide, methylvinyloxyethyl-
CID 81083
(E)-1-Ethoxy-2-(ethylthio)ethene
CID 5463286
2-(Ethenoxymethyl)thiirane
CID 11643927
3-Methyl-2,3-dihydro-1,4-oxathiine
CID 58183442
1-Ethoxy-2-ethylthioethene
CID 143081
2-(2-Methoxyethenylsulfanyl)-2-methylpropane
CID 123817305
Ethenoxymethylsulfanylethane
CID 140226863
Methoxyethene;methylsulfanylethane
CID 158727445
2-(Ethenoxymethyl)-2-methylthiirane 1-oxide
CID 176603132
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 176604027
2-(Ethenoxymethyl)-2-ethylthiirane
CID 176604587
2-(2-Ethenoxyethyl)thiirane
CID 176604645

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-methylthiirane?
The IUPAC name of 2-(ethenoxymethyl)-2-methylthiirane (CID 176604483) is 2-(ethenoxymethyl)-2-methylthiirane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-methylthiirane?
The canonical SMILES for 2-(ethenoxymethyl)-2-methylthiirane is C=COCC1(C)CS1.
What is the InChIKey of 2-(ethenoxymethyl)-2-methylthiirane?
The InChIKey is XNVUDHAIVCKFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-3-7-4-6(2)5-8-6/h3H,1,4-5H2,2H3.
What are the key properties of 2-(ethenoxymethyl)-2-methylthiirane?
2-(ethenoxymethyl)-2-methylthiirane has a molecular weight of 130.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-methylthiirane is sourced from PubChem (CID 176604483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).