S-[2-(2-methoxyethoxy)ethyl] ethanethioate

C7H14O3S — CID 22033250

IUPACS-[2-(2-methoxyethoxy)ethyl] ethanethioate
SMILESCOCCOCCSC(C)=O
InChIInChI=1S/C7H14O3S/c1-7(8)11-6-5-10-4-3-9-2/h3-6H2,1-2H3
InChIKeyGQAQMLWTIDGPQK-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.93
Rot. Bonds6

About S-[2-(2-methoxyethoxy)ethyl] ethanethioate

S-[2-(2-methoxyethoxy)ethyl] ethanethioate (PubChem CID 22033250) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is S-[2-(2-methoxyethoxy)ethyl] ethanethioate.

Molecular Properties

Compound NameS-[2-(2-methoxyethoxy)ethyl] ethanethioate
PubChem CID22033250
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC NameS-[2-(2-methoxyethoxy)ethyl] ethanethioate
SMILESCOCCOCCSC(C)=O
InChIInChI=1S/C7H14O3S/c1-7(8)11-6-5-10-4-3-9-2/h3-6H2,1-2H3
InChIKeyGQAQMLWTIDGPQK-UHFFFAOYSA-N
XLogP0.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-[2-(2-acetylsulfanylethoxy)ethyl] ethanethioate
CID 21540515
S-(2-(2-Hydroxyethoxy)ethyl) ethanethioate
CID 58879684
S-(1-Ethoxyethyl) ethanethioate
CID 12670589
1-Methoxy-2-(2-methylsulfanylethoxy)ethane
CID 23568590
S-(2-methoxyethyl) ethanethioate
CID 54128728
2-Ethoxyethyl 2-methylsulfanylacetate
CID 57579328
S-(3-ethoxypropyl) ethanethioate
CID 57801986
2-(2-Methoxyethoxy)ethyl ethanedithioate
CID 57888319
S-(2-propoxyethyl) ethanethioate
CID 58879711
S-[3-(2-ethoxyethoxy)propyl] ethanethioate
CID 59345692
S-(2-ethoxyethyl) ethanethioate
CID 73953384
m-PEG3-S-Acetyl
CID 77078512

Frequently Asked Questions

What is the IUPAC name of S-[2-(2-methoxyethoxy)ethyl] ethanethioate?
The IUPAC name of S-[2-(2-methoxyethoxy)ethyl] ethanethioate (CID 22033250) is S-[2-(2-methoxyethoxy)ethyl] ethanethioate.
What is the SMILES notation for S-[2-(2-methoxyethoxy)ethyl] ethanethioate?
The canonical SMILES for S-[2-(2-methoxyethoxy)ethyl] ethanethioate is COCCOCCSC(C)=O.
What is the InChIKey of S-[2-(2-methoxyethoxy)ethyl] ethanethioate?
The InChIKey is GQAQMLWTIDGPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-7(8)11-6-5-10-4-3-9-2/h3-6H2,1-2H3.
What are the key properties of S-[2-(2-methoxyethoxy)ethyl] ethanethioate?
S-[2-(2-methoxyethoxy)ethyl] ethanethioate has a molecular weight of 178.25 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-(2-methoxyethoxy)ethyl] ethanethioate is sourced from PubChem (CID 22033250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).