2-ethyl-4-(methoxymethyl)-1,3-dithiolane

C7H14OS2 — CID 20747826

IUPAC2-ethyl-4-(methoxymethyl)-1,3-dithiolane
SMILESCCC1SCC(COC)S1
InChIInChI=1S/C7H14OS2/c1-3-7-9-5-6(10-7)4-8-2/h6-7H,3-5H2,1-2H3
InChIKeyMJWMXZZDNKNABS-UHFFFAOYSA-N
MW178.32 g/mol
LogP2.22
Rot. Bonds3

About 2-ethyl-4-(methoxymethyl)-1,3-dithiolane

2-ethyl-4-(methoxymethyl)-1,3-dithiolane (PubChem CID 20747826) has the molecular formula C7H14OS2 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2-ethyl-4-(methoxymethyl)-1,3-dithiolane.

Molecular Properties

Compound Name2-ethyl-4-(methoxymethyl)-1,3-dithiolane
PubChem CID20747826
Molecular FormulaC7H14OS2
Molecular Weight178.32 g/mol
Exact Mass178.05
IUPAC Name2-ethyl-4-(methoxymethyl)-1,3-dithiolane
SMILESCCC1SCC(COC)S1
InChIInChI=1S/C7H14OS2/c1-3-7-9-5-6(10-7)4-8-2/h6-7H,3-5H2,1-2H3
InChIKeyMJWMXZZDNKNABS-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(methoxymethyl)-1,3-dithiolane?
The IUPAC name of 2-ethyl-4-(methoxymethyl)-1,3-dithiolane (CID 20747826) is 2-ethyl-4-(methoxymethyl)-1,3-dithiolane.
What is the SMILES notation for 2-ethyl-4-(methoxymethyl)-1,3-dithiolane?
The canonical SMILES for 2-ethyl-4-(methoxymethyl)-1,3-dithiolane is CCC1SCC(COC)S1.
What is the InChIKey of 2-ethyl-4-(methoxymethyl)-1,3-dithiolane?
The InChIKey is MJWMXZZDNKNABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS2/c1-3-7-9-5-6(10-7)4-8-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-4-(methoxymethyl)-1,3-dithiolane?
2-ethyl-4-(methoxymethyl)-1,3-dithiolane has a molecular weight of 178.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(methoxymethyl)-1,3-dithiolane is sourced from PubChem (CID 20747826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).