2-methoxysulfanylethoxymethylcyclopropane

C7H14O2S — CID 58453085

IUPAC2-methoxysulfanylethoxymethylcyclopropane
SMILESCOSCCOCC1CC1
InChIInChI=1S/C7H14O2S/c1-8-10-5-4-9-6-7-2-3-7/h7H,2-6H2,1H3
InChIKeyCIOMPUGMFUKIII-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.71
Rot. Bonds6

About 2-methoxysulfanylethoxymethylcyclopropane

2-methoxysulfanylethoxymethylcyclopropane (PubChem CID 58453085) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-methoxysulfanylethoxymethylcyclopropane.

Molecular Properties

Compound Name2-methoxysulfanylethoxymethylcyclopropane
PubChem CID58453085
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2-methoxysulfanylethoxymethylcyclopropane
SMILESCOSCCOCC1CC1
InChIInChI=1S/C7H14O2S/c1-8-10-5-4-9-6-7-2-3-7/h7H,2-6H2,1H3
InChIKeyCIOMPUGMFUKIII-UHFFFAOYSA-N
XLogP1.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxysulfanylethoxymethylcyclopropane?
The IUPAC name of 2-methoxysulfanylethoxymethylcyclopropane (CID 58453085) is 2-methoxysulfanylethoxymethylcyclopropane.
What is the SMILES notation for 2-methoxysulfanylethoxymethylcyclopropane?
The canonical SMILES for 2-methoxysulfanylethoxymethylcyclopropane is COSCCOCC1CC1.
What is the InChIKey of 2-methoxysulfanylethoxymethylcyclopropane?
The InChIKey is CIOMPUGMFUKIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-8-10-5-4-9-6-7-2-3-7/h7H,2-6H2,1H3.
What are the key properties of 2-methoxysulfanylethoxymethylcyclopropane?
2-methoxysulfanylethoxymethylcyclopropane has a molecular weight of 162.25 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxysulfanylethoxymethylcyclopropane is sourced from PubChem (CID 58453085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).