3-(ethenoxymethyl)thietane

C6H10OS — CID 176604957

IUPAC3-(ethenoxymethyl)thietane
SMILESC=COCC1CSC1
InChIInChI=1S/C6H10OS/c1-2-7-3-6-4-8-5-6/h2,6H,1,3-5H2
InChIKeyXFHZUOOBZGWHQW-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.51
Rot. Bonds3

About 3-(ethenoxymethyl)thietane

3-(ethenoxymethyl)thietane (PubChem CID 176604957) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 3-(ethenoxymethyl)thietane.

Molecular Properties

Compound Name3-(ethenoxymethyl)thietane
PubChem CID176604957
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name3-(ethenoxymethyl)thietane
SMILESC=COCC1CSC1
InChIInChI=1S/C6H10OS/c1-2-7-3-6-4-8-5-6/h2,6H,1,3-5H2
InChIKeyXFHZUOOBZGWHQW-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(ethenoxymethyl)thietane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-6,7-dihydro-5H-1,4-oxathiepine
CID 58183488
3-(1-Ethenoxyethyl)thietane
CID 176603880
3-(Ethenoxymethyl)thietane 1-oxide
CID 176604004
3-[[(E)-prop-1-enoxy]methyl]thietane
CID 176604531
3-(2-Ethenoxyethyl)thietane
CID 176604624
3-(Ethenoxymethyl)-3-methylthietane
CID 176605149
1-Ethenoxy-2-methyl-3-methylsulfanylpropane
CID 131043020

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)thietane?
The IUPAC name of 3-(ethenoxymethyl)thietane (CID 176604957) is 3-(ethenoxymethyl)thietane.
What is the SMILES notation for 3-(ethenoxymethyl)thietane?
The canonical SMILES for 3-(ethenoxymethyl)thietane is C=COCC1CSC1.
What is the InChIKey of 3-(ethenoxymethyl)thietane?
The InChIKey is XFHZUOOBZGWHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-7-3-6-4-8-5-6/h2,6H,1,3-5H2.
What are the key properties of 3-(ethenoxymethyl)thietane?
3-(ethenoxymethyl)thietane has a molecular weight of 130.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)thietane is sourced from PubChem (CID 176604957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).