2-[2-(2-methoxyethoxy)ethoxy]ethanethiol

C7H16O3S — CID 11063015

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethanethiol
SMILESCOCCOCCOCCS
InChIInChI=1S/C7H16O3S/c1-8-2-3-9-4-5-10-6-7-11/h11H,2-7H2,1H3
InChIKeyDMFFSDWRRLCKKN-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.60
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethoxy]ethanethiol

2-[2-(2-methoxyethoxy)ethoxy]ethanethiol (PubChem CID 11063015) has the molecular formula C7H16O3S and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethanethiol.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethanethiol
PubChem CID11063015
Molecular FormulaC7H16O3S
Molecular Weight180.27 g/mol
Exact Mass180.08
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethanethiol
SMILESCOCCOCCOCCS
InChIInChI=1S/C7H16O3S/c1-8-2-3-9-4-5-10-6-7-11/h11H,2-7H2,1H3
InChIKeyDMFFSDWRRLCKKN-UHFFFAOYSA-N
XLogP0.60
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methoxyethoxy)ethoxy]ethanethiol?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethanethiol (CID 11063015) is 2-[2-(2-methoxyethoxy)ethoxy]ethanethiol.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethanethiol?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethanethiol is COCCOCCOCCS.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethanethiol?
The InChIKey is DMFFSDWRRLCKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3S/c1-8-2-3-9-4-5-10-6-7-11/h11H,2-7H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethanethiol?
2-[2-(2-methoxyethoxy)ethoxy]ethanethiol has a molecular weight of 180.27 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethanethiol is sourced from PubChem (CID 11063015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).