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

C8H16O3S — CID 10607788

IUPACS-[2-(2-ethoxyethoxy)ethyl] ethanethioate
SMILESCCOCCOCCSC(C)=O
InChIInChI=1S/C8H16O3S/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3
InChIKeyASAZHWTWKWSCBX-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.32
Rot. Bonds7

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

S-[2-(2-ethoxyethoxy)ethyl] ethanethioate (PubChem CID 10607788) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is S-[2-(2-ethoxyethoxy)ethyl] ethanethioate.

Molecular Properties

Compound NameS-[2-(2-ethoxyethoxy)ethyl] ethanethioate
PubChem CID10607788
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC NameS-[2-(2-ethoxyethoxy)ethyl] ethanethioate
SMILESCCOCCOCCSC(C)=O
InChIInChI=1S/C8H16O3S/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3
InChIKeyASAZHWTWKWSCBX-UHFFFAOYSA-N
XLogP1.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.32
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-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]ethyl] ethanethioate
CID 132596097
S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate
CID 118123191
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 100910542
S-[3-[2-(3-acetylsulfanylpropoxy)ethoxy]propyl] ethanethioate
CID 59345691
S-(2-ethoxyethyl) 2-hydroxyethanethioate
CID 57098905
tert-butyl 2-[2-(2-acetylsulfanylethoxy)ethoxy]acetate
CID 167520638
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 102565383

Frequently Asked Questions

What is the IUPAC name of S-[2-(2-ethoxyethoxy)ethyl] ethanethioate?
The IUPAC name of S-[2-(2-ethoxyethoxy)ethyl] ethanethioate (CID 10607788) is S-[2-(2-ethoxyethoxy)ethyl] ethanethioate.
What is the SMILES notation for S-[2-(2-ethoxyethoxy)ethyl] ethanethioate?
The canonical SMILES for S-[2-(2-ethoxyethoxy)ethyl] ethanethioate is CCOCCOCCSC(C)=O.
What is the InChIKey of S-[2-(2-ethoxyethoxy)ethyl] ethanethioate?
The InChIKey is ASAZHWTWKWSCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3.
What are the key properties of S-[2-(2-ethoxyethoxy)ethyl] ethanethioate?
S-[2-(2-ethoxyethoxy)ethyl] ethanethioate has a molecular weight of 192.28 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-(2-ethoxyethoxy)ethyl] ethanethioate is sourced from PubChem (CID 10607788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).