2-(methoxymethyl)-3-methylthiirane

C5H10OS — CID 59782905

IUPAC2-(methoxymethyl)-3-methylthiirane
SMILESCOCC1SC1C
InChIInChI=1S/C5H10OS/c1-4-5(7-4)3-6-2/h4-5H,3H2,1-2H3
InChIKeyYXSIWAHMZUCTLA-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.14
Rot. Bonds2

About 2-(methoxymethyl)-3-methylthiirane

2-(methoxymethyl)-3-methylthiirane (PubChem CID 59782905) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-methylthiirane.

Molecular Properties

Compound Name2-(methoxymethyl)-3-methylthiirane
PubChem CID59782905
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-(methoxymethyl)-3-methylthiirane
SMILESCOCC1SC1C
InChIInChI=1S/C5H10OS/c1-4-5(7-4)3-6-2/h4-5H,3H2,1-2H3
InChIKeyYXSIWAHMZUCTLA-UHFFFAOYSA-N
XLogP1.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-methylthiirane?
The IUPAC name of 2-(methoxymethyl)-3-methylthiirane (CID 59782905) is 2-(methoxymethyl)-3-methylthiirane.
What is the SMILES notation for 2-(methoxymethyl)-3-methylthiirane?
The canonical SMILES for 2-(methoxymethyl)-3-methylthiirane is COCC1SC1C.
What is the InChIKey of 2-(methoxymethyl)-3-methylthiirane?
The InChIKey is YXSIWAHMZUCTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-5(7-4)3-6-2/h4-5H,3H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-3-methylthiirane?
2-(methoxymethyl)-3-methylthiirane has a molecular weight of 118.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-methylthiirane is sourced from PubChem (CID 59782905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).