ethyl 2-(2-sulfanylethoxy)acetate

C6H12O3S — CID 174809512

IUPACethyl 2-(2-sulfanylethoxy)acetate
SMILESCCOC(=O)COCCS
InChIInChI=1S/C6H12O3S/c1-2-9-6(7)5-8-3-4-10/h10H,2-5H2,1H3
InChIKeyHSRVAISDWUHRNY-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.50
Rot. Bonds5

About ethyl 2-(2-sulfanylethoxy)acetate

ethyl 2-(2-sulfanylethoxy)acetate (PubChem CID 174809512) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is ethyl 2-(2-sulfanylethoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-sulfanylethoxy)acetate
PubChem CID174809512
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Nameethyl 2-(2-sulfanylethoxy)acetate
SMILESCCOC(=O)COCCS
InChIInChI=1S/C6H12O3S/c1-2-9-6(7)5-8-3-4-10/h10H,2-5H2,1H3
InChIKeyHSRVAISDWUHRNY-UHFFFAOYSA-N
XLogP0.50
TPSA35.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.50
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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Related Compounds

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ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate
CID 20553419
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
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ethane;ethyl 2-(13-aminotridecoxy)acetate
CID 144962312
ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
CID 102349258
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-sulfanylethoxy)acetate?
The IUPAC name of ethyl 2-(2-sulfanylethoxy)acetate (CID 174809512) is ethyl 2-(2-sulfanylethoxy)acetate.
What is the SMILES notation for ethyl 2-(2-sulfanylethoxy)acetate?
The canonical SMILES for ethyl 2-(2-sulfanylethoxy)acetate is CCOC(=O)COCCS.
What is the InChIKey of ethyl 2-(2-sulfanylethoxy)acetate?
The InChIKey is HSRVAISDWUHRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-2-9-6(7)5-8-3-4-10/h10H,2-5H2,1H3.
What are the key properties of ethyl 2-(2-sulfanylethoxy)acetate?
ethyl 2-(2-sulfanylethoxy)acetate has a molecular weight of 164.23 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-sulfanylethoxy)acetate is sourced from PubChem (CID 174809512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).