methyl 2-(2-sulfanylethoxy)acetate

C5H10O3S — CID 22717347

IUPACmethyl 2-(2-sulfanylethoxy)acetate
SMILESCOC(=O)COCCS
InChIInChI=1S/C5H10O3S/c1-7-5(6)4-8-2-3-9/h9H,2-4H2,1H3
InChIKeyRGBOURLHVHUOOO-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.11
Rot. Bonds4

About methyl 2-(2-sulfanylethoxy)acetate

methyl 2-(2-sulfanylethoxy)acetate (PubChem CID 22717347) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is methyl 2-(2-sulfanylethoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-sulfanylethoxy)acetate
PubChem CID22717347
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Namemethyl 2-(2-sulfanylethoxy)acetate
SMILESCOC(=O)COCCS
InChIInChI=1S/C5H10O3S/c1-7-5(6)4-8-2-3-9/h9H,2-4H2,1H3
InChIKeyRGBOURLHVHUOOO-UHFFFAOYSA-N
XLogP0.11
TPSA35.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl 2-(2-sulfanylethoxy)acetate?
The IUPAC name of methyl 2-(2-sulfanylethoxy)acetate (CID 22717347) is methyl 2-(2-sulfanylethoxy)acetate.
What is the SMILES notation for methyl 2-(2-sulfanylethoxy)acetate?
The canonical SMILES for methyl 2-(2-sulfanylethoxy)acetate is COC(=O)COCCS.
What is the InChIKey of methyl 2-(2-sulfanylethoxy)acetate?
The InChIKey is RGBOURLHVHUOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-7-5(6)4-8-2-3-9/h9H,2-4H2,1H3.
What are the key properties of methyl 2-(2-sulfanylethoxy)acetate?
methyl 2-(2-sulfanylethoxy)acetate has a molecular weight of 150.20 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-sulfanylethoxy)acetate is sourced from PubChem (CID 22717347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).