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

C10H20O5S — CID 51340999

IUPACS-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate
SMILESCC(=O)SCCOCCOCCOCCO
InChIInChI=1S/C10H20O5S/c1-10(12)16-9-8-15-7-6-14-5-4-13-3-2-11/h11H,2-9H2,1H3
InChIKeyKKUXNAQDZRWEKI-UHFFFAOYSA-N
MW252.33 g/mol
LogP0.31
Rot. Bonds11

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

S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate (PubChem CID 51340999) has the molecular formula C10H20O5S and a molecular weight of 252.33 g/mol. Its IUPAC name is S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate.

Molecular Properties

Compound NameS-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate
PubChem CID51340999
Molecular FormulaC10H20O5S
Molecular Weight252.33 g/mol
Exact Mass252.10
IUPAC NameS-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate
SMILESCC(=O)SCCOCCOCCOCCO
InChIInChI=1S/C10H20O5S/c1-10(12)16-9-8-15-7-6-14-5-4-13-3-2-11/h11H,2-9H2,1H3
InChIKeyKKUXNAQDZRWEKI-UHFFFAOYSA-N
XLogP0.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate?
The IUPAC name of S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate (CID 51340999) is S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate.
What is the SMILES notation for S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate?
The canonical SMILES for S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate is CC(=O)SCCOCCOCCOCCO.
What is the InChIKey of S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate?
The InChIKey is KKUXNAQDZRWEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5S/c1-10(12)16-9-8-15-7-6-14-5-4-13-3-2-11/h11H,2-9H2,1H3.
What are the key properties of S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate?
S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate has a molecular weight of 252.33 g/mol, XLogP of 0.31, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate is sourced from PubChem (CID 51340999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).