2-(1-methoxyethoxy)ethanethiol

C5H12O2S — CID 20721918

IUPAC2-(1-methoxyethoxy)ethanethiol
SMILESCOC(C)OCCS
InChIInChI=1S/C5H12O2S/c1-5(6-2)7-3-4-8/h5,8H,3-4H2,1-2H3
InChIKeyUMMJNPICWMXBCT-UHFFFAOYSA-N
MW136.22 g/mol
LogP0.93
Rot. Bonds4

About 2-(1-methoxyethoxy)ethanethiol

2-(1-methoxyethoxy)ethanethiol (PubChem CID 20721918) has the molecular formula C5H12O2S and a molecular weight of 136.22 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethanethiol.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethanethiol
PubChem CID20721918
Molecular FormulaC5H12O2S
Molecular Weight136.22 g/mol
Exact Mass136.06
IUPAC Name2-(1-methoxyethoxy)ethanethiol
SMILESCOC(C)OCCS
InChIInChI=1S/C5H12O2S/c1-5(6-2)7-3-4-8/h5,8H,3-4H2,1-2H3
InChIKeyUMMJNPICWMXBCT-UHFFFAOYSA-N
XLogP0.93
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(1-methoxyethoxy)ethanethiol?
The IUPAC name of 2-(1-methoxyethoxy)ethanethiol (CID 20721918) is 2-(1-methoxyethoxy)ethanethiol.
What is the SMILES notation for 2-(1-methoxyethoxy)ethanethiol?
The canonical SMILES for 2-(1-methoxyethoxy)ethanethiol is COC(C)OCCS.
What is the InChIKey of 2-(1-methoxyethoxy)ethanethiol?
The InChIKey is UMMJNPICWMXBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2S/c1-5(6-2)7-3-4-8/h5,8H,3-4H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxy)ethanethiol?
2-(1-methoxyethoxy)ethanethiol has a molecular weight of 136.22 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)ethanethiol is sourced from PubChem (CID 20721918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).