2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane

C12H22O4S2 — CID 141069524

IUPAC2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane
SMILESCCSCCSCC(OCC1CO1)OCC1CO1
InChIInChI=1S/C12H22O4S2/c1-2-17-3-4-18-9-12(15-7-10-5-13-10)16-8-11-6-14-11/h10-12H,2-9H2,1H3
InChIKeyGFBYKURZWRNUNZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.63
Rot. Bonds12

About 2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane

2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane (PubChem CID 141069524) has the molecular formula C12H22O4S2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane
PubChem CID141069524
Molecular FormulaC12H22O4S2
Molecular Weight294.44 g/mol
Exact Mass294.10
IUPAC Name2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane
SMILESCCSCCSCC(OCC1CO1)OCC1CO1
InChIInChI=1S/C12H22O4S2/c1-2-17-3-4-18-9-12(15-7-10-5-13-10)16-8-11-6-14-11/h10-12H,2-9H2,1H3
InChIKeyGFBYKURZWRNUNZ-UHFFFAOYSA-N
XLogP1.63
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane?
The IUPAC name of 2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane (CID 141069524) is 2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane is CCSCCSCC(OCC1CO1)OCC1CO1.
What is the InChIKey of 2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane?
The InChIKey is GFBYKURZWRNUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4S2/c1-2-17-3-4-18-9-12(15-7-10-5-13-10)16-8-11-6-14-11/h10-12H,2-9H2,1H3.
What are the key properties of 2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane?
2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane has a molecular weight of 294.44 g/mol, XLogP of 1.63, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethylsulfanylethylsulfanyl)-1-(oxiran-2-ylmethoxy)ethoxy]methyl]oxirane is sourced from PubChem (CID 141069524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).