2-(methoxymethylsulfanyl)ethanol

C4H10O2S — CID 542450

IUPAC2-(methoxymethylsulfanyl)ethanol
SMILESCOCSCCO
InChIInChI=1S/C4H10O2S/c1-6-4-7-3-2-5/h5H,2-4H2,1H3
InChIKeyNICRMWAHJSEUQU-UHFFFAOYSA-N
MW122.19 g/mol
LogP0.32
Rot. Bonds4

About 2-(methoxymethylsulfanyl)ethanol

2-(methoxymethylsulfanyl)ethanol (PubChem CID 542450) has the molecular formula C4H10O2S and a molecular weight of 122.19 g/mol. Its IUPAC name is 2-(methoxymethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(methoxymethylsulfanyl)ethanol
PubChem CID542450
Molecular FormulaC4H10O2S
Molecular Weight122.19 g/mol
Exact Mass122.04
IUPAC Name2-(methoxymethylsulfanyl)ethanol
SMILESCOCSCCO
InChIInChI=1S/C4H10O2S/c1-6-4-7-3-2-5/h5H,2-4H2,1H3
InChIKeyNICRMWAHJSEUQU-UHFFFAOYSA-N
XLogP0.32
TPSA29.46 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 ≤ 50.32
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylsulfanyl)ethanol?
The IUPAC name of 2-(methoxymethylsulfanyl)ethanol (CID 542450) is 2-(methoxymethylsulfanyl)ethanol.
What is the SMILES notation for 2-(methoxymethylsulfanyl)ethanol?
The canonical SMILES for 2-(methoxymethylsulfanyl)ethanol is COCSCCO.
What is the InChIKey of 2-(methoxymethylsulfanyl)ethanol?
The InChIKey is NICRMWAHJSEUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S/c1-6-4-7-3-2-5/h5H,2-4H2,1H3.
What are the key properties of 2-(methoxymethylsulfanyl)ethanol?
2-(methoxymethylsulfanyl)ethanol has a molecular weight of 122.19 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylsulfanyl)ethanol is sourced from PubChem (CID 542450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).