2-(2-ethoxyethoxy)ethanethiol

C6H14O2S — CID 13129570

IUPAC2-(2-ethoxyethoxy)ethanethiol
SMILESCCOCCOCCS
InChIInChI=1S/C6H14O2S/c1-2-7-3-4-8-5-6-9/h9H,2-6H2,1H3
InChIKeyLIAMZAFGRCLLJR-UHFFFAOYSA-N
MW150.24 g/mol
LogP0.97
Rot. Bonds6

About 2-(2-ethoxyethoxy)ethanethiol

2-(2-ethoxyethoxy)ethanethiol (PubChem CID 13129570) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethanethiol.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethanethiol
PubChem CID13129570
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Name2-(2-ethoxyethoxy)ethanethiol
SMILESCCOCCOCCS
InChIInChI=1S/C6H14O2S/c1-2-7-3-4-8-5-6-9/h9H,2-6H2,1H3
InChIKeyLIAMZAFGRCLLJR-UHFFFAOYSA-N
XLogP0.97
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethanethiol?
The IUPAC name of 2-(2-ethoxyethoxy)ethanethiol (CID 13129570) is 2-(2-ethoxyethoxy)ethanethiol.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethanethiol?
The canonical SMILES for 2-(2-ethoxyethoxy)ethanethiol is CCOCCOCCS.
What is the InChIKey of 2-(2-ethoxyethoxy)ethanethiol?
The InChIKey is LIAMZAFGRCLLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S/c1-2-7-3-4-8-5-6-9/h9H,2-6H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethanethiol?
2-(2-ethoxyethoxy)ethanethiol has a molecular weight of 150.24 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethanethiol is sourced from PubChem (CID 13129570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).