S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate

C8H17NO3S — CID 118123191

IUPACS-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate
SMILESCC(=O)SCCOCCOCCN
InChIInChI=1S/C8H17NO3S/c1-8(10)13-7-6-12-5-4-11-3-2-9/h2-7,9H2,1H3
InChIKeyBEUHHXYJUJZYDI-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.26
Rot. Bonds8

About S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate

S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate (PubChem CID 118123191) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate.

Molecular Properties

Compound NameS-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate
PubChem CID118123191
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameS-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate
SMILESCC(=O)SCCOCCOCCN
InChIInChI=1S/C8H17NO3S/c1-8(10)13-7-6-12-5-4-11-3-2-9/h2-7,9H2,1H3
InChIKeyBEUHHXYJUJZYDI-UHFFFAOYSA-N
XLogP0.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethoxyethoxy)ethyl] ethanethioate
CID 10607788
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
tert-butyl 2-[2-(2-acetylsulfanylethoxy)ethoxy]acetate
CID 167520638
acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
CID 172772523
2-(2-methylsulfanylethoxy)ethanamine
CID 57125874
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934
S-[2-(dimethylcarbamoyloxy)ethyl] ethanethioate
CID 118520562
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl carbamate
CID 118597467
2-[2-(2-aminoethoxy)ethoxy]ethanamine;butanediamide
CID 87072841

Frequently Asked Questions

What is the IUPAC name of S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate?
The IUPAC name of S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate (CID 118123191) is S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate.
What is the SMILES notation for S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate?
The canonical SMILES for S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate is CC(=O)SCCOCCOCCN.
What is the InChIKey of S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate?
The InChIKey is BEUHHXYJUJZYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(10)13-7-6-12-5-4-11-3-2-9/h2-7,9H2,1H3.
What are the key properties of S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate?
S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate has a molecular weight of 207.29 g/mol, XLogP of 0.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-[2-(2-aminoethoxy)ethoxy]ethyl] ethanethioate is sourced from PubChem (CID 118123191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).