2-(methoxymethoxy)ethanethiol

C4H10O2S — CID 21307465

IUPAC2-(methoxymethoxy)ethanethiol
SMILESCOCOCCS
InChIInChI=1S/C4H10O2S/c1-5-4-6-2-3-7/h7H,2-4H2,1H3
InChIKeyPUAAMOXVZHQNFM-UHFFFAOYSA-N
MW122.19 g/mol
LogP0.54
Rot. Bonds4

About 2-(methoxymethoxy)ethanethiol

2-(methoxymethoxy)ethanethiol (PubChem CID 21307465) has the molecular formula C4H10O2S and a molecular weight of 122.19 g/mol. Its IUPAC name is 2-(methoxymethoxy)ethanethiol.

Molecular Properties

Compound Name2-(methoxymethoxy)ethanethiol
PubChem CID21307465
Molecular FormulaC4H10O2S
Molecular Weight122.19 g/mol
Exact Mass122.04
IUPAC Name2-(methoxymethoxy)ethanethiol
SMILESCOCOCCS
InChIInChI=1S/C4H10O2S/c1-5-4-6-2-3-7/h7H,2-4H2,1H3
InChIKeyPUAAMOXVZHQNFM-UHFFFAOYSA-N
XLogP0.54
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)ethanethiol?
The IUPAC name of 2-(methoxymethoxy)ethanethiol (CID 21307465) is 2-(methoxymethoxy)ethanethiol.
What is the SMILES notation for 2-(methoxymethoxy)ethanethiol?
The canonical SMILES for 2-(methoxymethoxy)ethanethiol is COCOCCS.
What is the InChIKey of 2-(methoxymethoxy)ethanethiol?
The InChIKey is PUAAMOXVZHQNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S/c1-5-4-6-2-3-7/h7H,2-4H2,1H3.
What are the key properties of 2-(methoxymethoxy)ethanethiol?
2-(methoxymethoxy)ethanethiol has a molecular weight of 122.19 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)ethanethiol is sourced from PubChem (CID 21307465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).