2-(2-methoxyethoxy)ethyl 2-sulfanylacetate

C7H14O4S — CID 18369683

IUPAC2-(2-methoxyethoxy)ethyl 2-sulfanylacetate
SMILESCOCCOCCOC(=O)CS
InChIInChI=1S/C7H14O4S/c1-9-2-3-10-4-5-11-7(8)6-12/h12H,2-6H2,1H3
InChIKeyREISVQFGJQBRRN-UHFFFAOYSA-N
MW194.25 g/mol
LogP0.12
Rot. Bonds7

About 2-(2-methoxyethoxy)ethyl 2-sulfanylacetate

2-(2-methoxyethoxy)ethyl 2-sulfanylacetate (PubChem CID 18369683) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2-sulfanylacetate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2-sulfanylacetate
PubChem CID18369683
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name2-(2-methoxyethoxy)ethyl 2-sulfanylacetate
SMILESCOCCOCCOC(=O)CS
InChIInChI=1S/C7H14O4S/c1-9-2-3-10-4-5-11-7(8)6-12/h12H,2-6H2,1H3
InChIKeyREISVQFGJQBRRN-UHFFFAOYSA-N
XLogP0.12
TPSA44.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 2-sulfanylacetate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2-sulfanylacetate (CID 18369683) is 2-(2-methoxyethoxy)ethyl 2-sulfanylacetate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2-sulfanylacetate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2-sulfanylacetate is COCCOCCOC(=O)CS.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2-sulfanylacetate?
The InChIKey is REISVQFGJQBRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4S/c1-9-2-3-10-4-5-11-7(8)6-12/h12H,2-6H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 2-sulfanylacetate?
2-(2-methoxyethoxy)ethyl 2-sulfanylacetate has a molecular weight of 194.25 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2-sulfanylacetate is sourced from PubChem (CID 18369683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).