3-(methoxymethyl)thiolane 1-oxide

C6H12O2S — CID 142607656

IUPAC3-(methoxymethyl)thiolane 1-oxide
SMILESCOCC1CCS(=O)C1
InChIInChI=1S/C6H12O2S/c1-8-4-6-2-3-9(7)5-6/h6H,2-5H2,1H3
InChIKeyCNELAGWQLKQFMC-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.40
Rot. Bonds2

About 3-(methoxymethyl)thiolane 1-oxide

3-(methoxymethyl)thiolane 1-oxide (PubChem CID 142607656) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 3-(methoxymethyl)thiolane 1-oxide.

Molecular Properties

Compound Name3-(methoxymethyl)thiolane 1-oxide
PubChem CID142607656
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name3-(methoxymethyl)thiolane 1-oxide
SMILESCOCC1CCS(=O)C1
InChIInChI=1S/C6H12O2S/c1-8-4-6-2-3-9(7)5-6/h6H,2-5H2,1H3
InChIKeyCNELAGWQLKQFMC-UHFFFAOYSA-N
XLogP0.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)thiolane 1-oxide?
The IUPAC name of 3-(methoxymethyl)thiolane 1-oxide (CID 142607656) is 3-(methoxymethyl)thiolane 1-oxide.
What is the SMILES notation for 3-(methoxymethyl)thiolane 1-oxide?
The canonical SMILES for 3-(methoxymethyl)thiolane 1-oxide is COCC1CCS(=O)C1.
What is the InChIKey of 3-(methoxymethyl)thiolane 1-oxide?
The InChIKey is CNELAGWQLKQFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-8-4-6-2-3-9(7)5-6/h6H,2-5H2,1H3.
What are the key properties of 3-(methoxymethyl)thiolane 1-oxide?
3-(methoxymethyl)thiolane 1-oxide has a molecular weight of 148.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)thiolane 1-oxide is sourced from PubChem (CID 142607656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).