2-(diethoxymethyl)thiirane

C7H14O2S — CID 11389572

IUPAC2-(diethoxymethyl)thiirane
SMILESCCOC(OCC)C1CS1
InChIInChI=1S/C7H14O2S/c1-3-8-7(9-4-2)6-5-10-6/h6-7H,3-5H2,1-2H3
InChIKeyGYCPBWLOPJYMCN-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.50
Rot. Bonds5

About 2-(diethoxymethyl)thiirane

2-(diethoxymethyl)thiirane (PubChem CID 11389572) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-(diethoxymethyl)thiirane.

Molecular Properties

Compound Name2-(diethoxymethyl)thiirane
PubChem CID11389572
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2-(diethoxymethyl)thiirane
SMILESCCOC(OCC)C1CS1
InChIInChI=1S/C7H14O2S/c1-3-8-7(9-4-2)6-5-10-6/h6-7H,3-5H2,1-2H3
InChIKeyGYCPBWLOPJYMCN-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 85521
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1,1-Dimethoxy-2-(methylsulfanyl)propane
CID 10419359
1-Methoxy-1-(2-methylsulfanylethoxy)ethane
CID 20721909
5-Ethoxy-1,3-oxathiolane
CID 22327969
3-Methylsulfanyl-1,1-dipropoxypropane
CID 23340019
1-Methoxy-1-(1-methylsulfanylethoxy)ethane
CID 59002642
2-[2-(1-Ethoxyethoxy)ethylsulfanyl]propane
CID 59460153
2-(1-Methylsulfanylethyl)-1,3-dioxane
CID 70587250
1-(1-Ethylsulfanylethoxy)-1-methoxyethane
CID 87182770
2,2-Diethoxyethyl(dimethyl)sulfanium
CID 87508075

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)thiirane?
The IUPAC name of 2-(diethoxymethyl)thiirane (CID 11389572) is 2-(diethoxymethyl)thiirane.
What is the SMILES notation for 2-(diethoxymethyl)thiirane?
The canonical SMILES for 2-(diethoxymethyl)thiirane is CCOC(OCC)C1CS1.
What is the InChIKey of 2-(diethoxymethyl)thiirane?
The InChIKey is GYCPBWLOPJYMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-3-8-7(9-4-2)6-5-10-6/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(diethoxymethyl)thiirane?
2-(diethoxymethyl)thiirane has a molecular weight of 162.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)thiirane is sourced from PubChem (CID 11389572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).