2-(2-methylpropoxymethyl)thiirane

C7H14OS — CID 12743358

IUPAC2-(2-methylpropoxymethyl)thiirane
SMILESCC(C)COCC1CS1
InChIInChI=1S/C7H14OS/c1-6(2)3-8-4-7-5-9-7/h6-7H,3-5H2,1-2H3
InChIKeyRYHOXJVGQSJIAZ-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.77
Rot. Bonds4

About 2-(2-methylpropoxymethyl)thiirane

2-(2-methylpropoxymethyl)thiirane (PubChem CID 12743358) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-(2-methylpropoxymethyl)thiirane.

Molecular Properties

Compound Name2-(2-methylpropoxymethyl)thiirane
PubChem CID12743358
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-(2-methylpropoxymethyl)thiirane
SMILESCC(C)COCC1CS1
InChIInChI=1S/C7H14OS/c1-6(2)3-8-4-7-5-9-7/h6-7H,3-5H2,1-2H3
InChIKeyRYHOXJVGQSJIAZ-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.77
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-(2-methylpropoxymethyl)thiirane?
The IUPAC name of 2-(2-methylpropoxymethyl)thiirane (CID 12743358) is 2-(2-methylpropoxymethyl)thiirane.
What is the SMILES notation for 2-(2-methylpropoxymethyl)thiirane?
The canonical SMILES for 2-(2-methylpropoxymethyl)thiirane is CC(C)COCC1CS1.
What is the InChIKey of 2-(2-methylpropoxymethyl)thiirane?
The InChIKey is RYHOXJVGQSJIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-6(2)3-8-4-7-5-9-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(2-methylpropoxymethyl)thiirane?
2-(2-methylpropoxymethyl)thiirane has a molecular weight of 146.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxymethyl)thiirane is sourced from PubChem (CID 12743358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).