4-(methoxymethyl)-1,3-dithiolane

C5H10OS2 — CID 154530765

IUPAC4-(methoxymethyl)-1,3-dithiolane
SMILESCOCC1CSCS1
InChIInChI=1S/C5H10OS2/c1-6-2-5-3-7-4-8-5/h5H,2-4H2,1H3
InChIKeyXZOJSHXEFXTUNQ-UHFFFAOYSA-N
MW150.27 g/mol
LogP1.44
Rot. Bonds2

About 4-(methoxymethyl)-1,3-dithiolane

4-(methoxymethyl)-1,3-dithiolane (PubChem CID 154530765) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 4-(methoxymethyl)-1,3-dithiolane.

Molecular Properties

Compound Name4-(methoxymethyl)-1,3-dithiolane
PubChem CID154530765
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Name4-(methoxymethyl)-1,3-dithiolane
SMILESCOCC1CSCS1
InChIInChI=1S/C5H10OS2/c1-6-2-5-3-7-4-8-5/h5H,2-4H2,1H3
InChIKeyXZOJSHXEFXTUNQ-UHFFFAOYSA-N
XLogP1.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1,3-dithiolane?
The IUPAC name of 4-(methoxymethyl)-1,3-dithiolane (CID 154530765) is 4-(methoxymethyl)-1,3-dithiolane.
What is the SMILES notation for 4-(methoxymethyl)-1,3-dithiolane?
The canonical SMILES for 4-(methoxymethyl)-1,3-dithiolane is COCC1CSCS1.
What is the InChIKey of 4-(methoxymethyl)-1,3-dithiolane?
The InChIKey is XZOJSHXEFXTUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c1-6-2-5-3-7-4-8-5/h5H,2-4H2,1H3.
What are the key properties of 4-(methoxymethyl)-1,3-dithiolane?
4-(methoxymethyl)-1,3-dithiolane has a molecular weight of 150.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1,3-dithiolane is sourced from PubChem (CID 154530765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).