1-methoxy-2-methoxysulfanylethane;methylcyclopropane

C8H18O2S — CID 157118880

IUPAC1-methoxy-2-methoxysulfanylethane;methylcyclopropane
SMILESCC1CC1.COCCSOC
InChIInChI=1S/C4H10O2S.C4H8/c1-5-3-4-7-6-2;1-4-2-3-4/h3-4H2,1-2H3;4H,2-3H2,1H3
InChIKeyAHSNBHIPINZOFZ-UHFFFAOYSA-N
MW178.30 g/mol
LogP2.34
Rot. Bonds4

About 1-methoxy-2-methoxysulfanylethane;methylcyclopropane

1-methoxy-2-methoxysulfanylethane;methylcyclopropane (PubChem CID 157118880) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-methoxy-2-methoxysulfanylethane;methylcyclopropane.

Molecular Properties

Compound Name1-methoxy-2-methoxysulfanylethane;methylcyclopropane
PubChem CID157118880
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name1-methoxy-2-methoxysulfanylethane;methylcyclopropane
SMILESCC1CC1.COCCSOC
InChIInChI=1S/C4H10O2S.C4H8/c1-5-3-4-7-6-2;1-4-2-3-4/h3-4H2,1-2H3;4H,2-3H2,1H3
InChIKeyAHSNBHIPINZOFZ-UHFFFAOYSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.34
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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Related Compounds

2-Methoxysulfanylethoxymethylcyclopropane
CID 58453085
1-(2-Methylpropoxysulfanyl)butane
CID 145599126
Triethoxy(2-methylpropyl)-lambda4-sulfane
CID 152458232
1-Methoxy-2-methylsulfanylethane;methylcyclopropane
CID 158033334
Cyclopropane;1-methoxy-2-methylperoxysulfanylethane
CID 158805500
1-Methoxy-2-methylsulfinylethane;methylcyclopropane
CID 160771921
1-Methoxy-2-methylperoxysulfanylethane;methylcyclopropane
CID 161772034
1,1-Bis(ethoxysulfanyl)-2-methylpropane
CID 173140504

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methoxysulfanylethane;methylcyclopropane?
The IUPAC name of 1-methoxy-2-methoxysulfanylethane;methylcyclopropane (CID 157118880) is 1-methoxy-2-methoxysulfanylethane;methylcyclopropane.
What is the SMILES notation for 1-methoxy-2-methoxysulfanylethane;methylcyclopropane?
The canonical SMILES for 1-methoxy-2-methoxysulfanylethane;methylcyclopropane is CC1CC1.COCCSOC.
What is the InChIKey of 1-methoxy-2-methoxysulfanylethane;methylcyclopropane?
The InChIKey is AHSNBHIPINZOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S.C4H8/c1-5-3-4-7-6-2;1-4-2-3-4/h3-4H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of 1-methoxy-2-methoxysulfanylethane;methylcyclopropane?
1-methoxy-2-methoxysulfanylethane;methylcyclopropane has a molecular weight of 178.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methoxysulfanylethane;methylcyclopropane is sourced from PubChem (CID 157118880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).