2-methylsulfanylethoxymethylcyclopropane

C7H14OS — CID 103709697

IUPAC2-methylsulfanylethoxymethylcyclopropane
SMILESCSCCOCC1CC1
InChIInChI=1S/C7H14OS/c1-9-5-4-8-6-7-2-3-7/h7H,2-6H2,1H3
InChIKeyVQDZRLXIFFSNCT-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.78
Rot. Bonds5

About 2-methylsulfanylethoxymethylcyclopropane

2-methylsulfanylethoxymethylcyclopropane (PubChem CID 103709697) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-methylsulfanylethoxymethylcyclopropane.

Molecular Properties

Compound Name2-methylsulfanylethoxymethylcyclopropane
PubChem CID103709697
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-methylsulfanylethoxymethylcyclopropane
SMILESCSCCOCC1CC1
InChIInChI=1S/C7H14OS/c1-9-5-4-8-6-7-2-3-7/h7H,2-6H2,1H3
InChIKeyVQDZRLXIFFSNCT-UHFFFAOYSA-N
XLogP1.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.78
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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Related Compounds

Thiirane, (butoxymethyl)-
CID 141699
2-(2-Methylpropoxymethyl)thiirane
CID 12743358
Butoxy propylene sulfide
CID 100969507
(2R)-2-(butoxymethyl)thiirane
CID 134880973
2-Methyl-1-(2-methylsulfanylethoxy)propane
CID 23568651
2-Methoxysulfanylethoxymethylcyclopropane
CID 58453085
2-(Ethoxymethyl)-2-methylthiirane
CID 59782893
2-Methoxyethylsulfanylmethylcyclopropane
CID 89892525
2-Methylsulfinylethoxymethylcyclopropane
CID 117797838
1-Methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane
CID 123504637
1-(Methoxymethyl)-1-methylsulfanylcyclopropane
CID 123710643
2-Methyl-2-(propoxymethyl)thiirane
CID 153830289

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethoxymethylcyclopropane?
The IUPAC name of 2-methylsulfanylethoxymethylcyclopropane (CID 103709697) is 2-methylsulfanylethoxymethylcyclopropane.
What is the SMILES notation for 2-methylsulfanylethoxymethylcyclopropane?
The canonical SMILES for 2-methylsulfanylethoxymethylcyclopropane is CSCCOCC1CC1.
What is the InChIKey of 2-methylsulfanylethoxymethylcyclopropane?
The InChIKey is VQDZRLXIFFSNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-9-5-4-8-6-7-2-3-7/h7H,2-6H2,1H3.
What are the key properties of 2-methylsulfanylethoxymethylcyclopropane?
2-methylsulfanylethoxymethylcyclopropane has a molecular weight of 146.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethoxymethylcyclopropane is sourced from PubChem (CID 103709697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).