2-methyloxirane;1-methylsulfanyloxypropane

C7H16O2S — CID 158308551

IUPAC2-methyloxirane;1-methylsulfanyloxypropane
SMILESCC1CO1.CCCOSC
InChIInChI=1S/C4H10OS.C3H6O/c1-3-4-5-6-2;1-3-2-4-3/h3-4H2,1-2H3;3H,2H2,1H3
InChIKeyGNJYVVKVTQRQDD-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.10
Rot. Bonds3

About 2-methyloxirane;1-methylsulfanyloxypropane

2-methyloxirane;1-methylsulfanyloxypropane (PubChem CID 158308551) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-methyloxirane;1-methylsulfanyloxypropane.

Molecular Properties

Compound Name2-methyloxirane;1-methylsulfanyloxypropane
PubChem CID158308551
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name2-methyloxirane;1-methylsulfanyloxypropane
SMILESCC1CO1.CCCOSC
InChIInChI=1S/C4H10OS.C3H6O/c1-3-4-5-6-2;1-3-2-4-3/h3-4H2,1-2H3;3H,2H2,1H3
InChIKeyGNJYVVKVTQRQDD-UHFFFAOYSA-N
XLogP2.10
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.10
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-methyloxirane;1-octadecoxyoctadecane
CID 88807513
1-butoxybutane;2-methyloxirane;oxirane
CID 129186869
4-methyl-2-propoxy-1,3-dioxolane
CID 88804523
CID 163498360
CID 163498360
2-methyloxirane;polane
CID 173240072
λ2-plumbane;2-methyloxirane
CID 173222692
zinc;2-methyloxirane;dichloride
CID 21163562
magnesium;hydride;2-methyloxirane
CID 173126818
2-methyloxirane;molecular iodine
CID 91277313
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
1-(5-methyloxolan-3-yl)-2-propoxyethanone
CID 115783118
2-(propoxymethyl)oxirane
CID 18406

Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;1-methylsulfanyloxypropane?
The IUPAC name of 2-methyloxirane;1-methylsulfanyloxypropane (CID 158308551) is 2-methyloxirane;1-methylsulfanyloxypropane.
What is the SMILES notation for 2-methyloxirane;1-methylsulfanyloxypropane?
The canonical SMILES for 2-methyloxirane;1-methylsulfanyloxypropane is CC1CO1.CCCOSC.
What is the InChIKey of 2-methyloxirane;1-methylsulfanyloxypropane?
The InChIKey is GNJYVVKVTQRQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS.C3H6O/c1-3-4-5-6-2;1-3-2-4-3/h3-4H2,1-2H3;3H,2H2,1H3.
What are the key properties of 2-methyloxirane;1-methylsulfanyloxypropane?
2-methyloxirane;1-methylsulfanyloxypropane has a molecular weight of 164.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;1-methylsulfanyloxypropane is sourced from PubChem (CID 158308551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).