1-methoxy-2-methylsulfanylethane;methylcyclopropane

C8H18OS — CID 158033334

IUPAC1-methoxy-2-methylsulfanylethane;methylcyclopropane
SMILESCC1CC1.COCCSC
InChIInChI=1S/C4H10OS.C4H8/c1-5-3-4-6-2;1-4-2-3-4/h3-4H2,1-2H3;4H,2-3H2,1H3
InChIKeyFHLFXVIGLDEHSV-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.41
Rot. Bonds3

About 1-methoxy-2-methylsulfanylethane;methylcyclopropane

1-methoxy-2-methylsulfanylethane;methylcyclopropane (PubChem CID 158033334) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 1-methoxy-2-methylsulfanylethane;methylcyclopropane.

Molecular Properties

Compound Name1-methoxy-2-methylsulfanylethane;methylcyclopropane
PubChem CID158033334
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name1-methoxy-2-methylsulfanylethane;methylcyclopropane
SMILESCC1CC1.COCCSC
InChIInChI=1S/C4H10OS.C4H8/c1-5-3-4-6-2;1-4-2-3-4/h3-4H2,1-2H3;4H,2-3H2,1H3
InChIKeyFHLFXVIGLDEHSV-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylsulfanylethane;methylcyclopropane?
The IUPAC name of 1-methoxy-2-methylsulfanylethane;methylcyclopropane (CID 158033334) is 1-methoxy-2-methylsulfanylethane;methylcyclopropane.
What is the SMILES notation for 1-methoxy-2-methylsulfanylethane;methylcyclopropane?
The canonical SMILES for 1-methoxy-2-methylsulfanylethane;methylcyclopropane is CC1CC1.COCCSC.
What is the InChIKey of 1-methoxy-2-methylsulfanylethane;methylcyclopropane?
The InChIKey is FHLFXVIGLDEHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS.C4H8/c1-5-3-4-6-2;1-4-2-3-4/h3-4H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of 1-methoxy-2-methylsulfanylethane;methylcyclopropane?
1-methoxy-2-methylsulfanylethane;methylcyclopropane has a molecular weight of 162.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylsulfanylethane;methylcyclopropane is sourced from PubChem (CID 158033334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).