1-ethoxy-1-methylsulfanylcyclopropane

C6H12OS — CID 12662482

IUPAC1-ethoxy-1-methylsulfanylcyclopropane
SMILESCCOC1(SC)CC1
InChIInChI=1S/C6H12OS/c1-3-7-6(8-2)4-5-6/h3-5H2,1-2H3
InChIKeyCJZKMXHEYIEPBU-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.88
Rot. Bonds3

About 1-ethoxy-1-methylsulfanylcyclopropane

1-ethoxy-1-methylsulfanylcyclopropane (PubChem CID 12662482) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 1-ethoxy-1-methylsulfanylcyclopropane.

Molecular Properties

Compound Name1-ethoxy-1-methylsulfanylcyclopropane
PubChem CID12662482
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name1-ethoxy-1-methylsulfanylcyclopropane
SMILESCCOC1(SC)CC1
InChIInChI=1S/C6H12OS/c1-3-7-6(8-2)4-5-6/h3-5H2,1-2H3
InChIKeyCJZKMXHEYIEPBU-UHFFFAOYSA-N
XLogP1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxyethylsulfanylcyclopropane
CID 52141661
1-Ethoxy-3-methylsulfanylpropane
CID 57579335
2-Methyl-3-(methylsulfanylmethyl)oxirane
CID 123693452
1-(Methoxymethyl)-1-methylsulfanylcyclopropane
CID 123710643
Propane, 2-ethoxy-1-(methylthio)-
CID 12297820
2-Methylsulfanyl-2-propoxypropane
CID 168162961

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-methylsulfanylcyclopropane?
The IUPAC name of 1-ethoxy-1-methylsulfanylcyclopropane (CID 12662482) is 1-ethoxy-1-methylsulfanylcyclopropane.
What is the SMILES notation for 1-ethoxy-1-methylsulfanylcyclopropane?
The canonical SMILES for 1-ethoxy-1-methylsulfanylcyclopropane is CCOC1(SC)CC1.
What is the InChIKey of 1-ethoxy-1-methylsulfanylcyclopropane?
The InChIKey is CJZKMXHEYIEPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-3-7-6(8-2)4-5-6/h3-5H2,1-2H3.
What are the key properties of 1-ethoxy-1-methylsulfanylcyclopropane?
1-ethoxy-1-methylsulfanylcyclopropane has a molecular weight of 132.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-methylsulfanylcyclopropane is sourced from PubChem (CID 12662482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).