1-methoxy-1-(1-methylsulfanylethoxy)ethane

C6H14O2S — CID 59002642

IUPAC1-methoxy-1-(1-methylsulfanylethoxy)ethane
SMILESCOC(C)OC(C)SC
InChIInChI=1S/C6H14O2S/c1-5(7-3)8-6(2)9-4/h5-6H,1-4H3
InChIKeyQFYJZUUVINJOIY-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.70
Rot. Bonds4

About 1-methoxy-1-(1-methylsulfanylethoxy)ethane

1-methoxy-1-(1-methylsulfanylethoxy)ethane (PubChem CID 59002642) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is 1-methoxy-1-(1-methylsulfanylethoxy)ethane.

Molecular Properties

Compound Name1-methoxy-1-(1-methylsulfanylethoxy)ethane
PubChem CID59002642
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Name1-methoxy-1-(1-methylsulfanylethoxy)ethane
SMILESCOC(C)OC(C)SC
InChIInChI=1S/C6H14O2S/c1-5(7-3)8-6(2)9-4/h5-6H,1-4H3
InChIKeyQFYJZUUVINJOIY-UHFFFAOYSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 85521
(Methylthio)acetaldehyde dimethyl acetal
CID 638113
2-(Methylthio)-acetaldehyde diethyl acetal
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2,4,6-Trimethyl-1,3,5-dioxathiane
CID 23262324
Thiocyanic acid, 2,2-diethoxyethyl ester
CID 217262
2-Ethoxy-1,3-oxathiolane
CID 5136003
1,1-Diethoxy-2-methanesulfinylethane
CID 64640966
2,2-Diethoxy-ethanethiol
CID 10942622
2-(2'-Methoxyethoxy)-ethane thiol
CID 20721918
Bis(2 mercaptoethoxy)ethane
CID 22992648
5,7-Dioxa-2,10-dithiaundecane
CID 57638547
1,1-Dimethoxy-3-(methylthio)propane
CID 83240

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(1-methylsulfanylethoxy)ethane?
The IUPAC name of 1-methoxy-1-(1-methylsulfanylethoxy)ethane (CID 59002642) is 1-methoxy-1-(1-methylsulfanylethoxy)ethane.
What is the SMILES notation for 1-methoxy-1-(1-methylsulfanylethoxy)ethane?
The canonical SMILES for 1-methoxy-1-(1-methylsulfanylethoxy)ethane is COC(C)OC(C)SC.
What is the InChIKey of 1-methoxy-1-(1-methylsulfanylethoxy)ethane?
The InChIKey is QFYJZUUVINJOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S/c1-5(7-3)8-6(2)9-4/h5-6H,1-4H3.
What are the key properties of 1-methoxy-1-(1-methylsulfanylethoxy)ethane?
1-methoxy-1-(1-methylsulfanylethoxy)ethane has a molecular weight of 150.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(1-methylsulfanylethoxy)ethane is sourced from PubChem (CID 59002642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).