2-(2-methoxyethoxy)ethanethiol

C5H12O2S — CID 11400802

IUPAC2-(2-methoxyethoxy)ethanethiol
SMILESCOCCOCCS
InChIInChI=1S/C5H12O2S/c1-6-2-3-7-4-5-8/h8H,2-5H2,1H3
InChIKeyCDBORKXXLPAUKJ-UHFFFAOYSA-N
MW136.22 g/mol
LogP0.58
Rot. Bonds5

About 2-(2-methoxyethoxy)ethanethiol

2-(2-methoxyethoxy)ethanethiol (PubChem CID 11400802) has the molecular formula C5H12O2S and a molecular weight of 136.22 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethanethiol.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethanethiol
PubChem CID11400802
Molecular FormulaC5H12O2S
Molecular Weight136.22 g/mol
Exact Mass136.06
IUPAC Name2-(2-methoxyethoxy)ethanethiol
SMILESCOCCOCCS
InChIInChI=1S/C5H12O2S/c1-6-2-3-7-4-5-8/h8H,2-5H2,1H3
InChIKeyCDBORKXXLPAUKJ-UHFFFAOYSA-N
XLogP0.58
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 50.58
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-methoxyethoxy)ethanethiol?
The IUPAC name of 2-(2-methoxyethoxy)ethanethiol (CID 11400802) is 2-(2-methoxyethoxy)ethanethiol.
What is the SMILES notation for 2-(2-methoxyethoxy)ethanethiol?
The canonical SMILES for 2-(2-methoxyethoxy)ethanethiol is COCCOCCS.
What is the InChIKey of 2-(2-methoxyethoxy)ethanethiol?
The InChIKey is CDBORKXXLPAUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2S/c1-6-2-3-7-4-5-8/h8H,2-5H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethanethiol?
2-(2-methoxyethoxy)ethanethiol has a molecular weight of 136.22 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethanethiol is sourced from PubChem (CID 11400802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).