1-ethoxy-2-methylsulfanylethane

C5H12OS — CID 21280230

IUPAC1-ethoxy-2-methylsulfanylethane
SMILESCCOCCSC
InChIInChI=1S/C5H12OS/c1-3-6-4-5-7-2/h3-5H2,1-2H3
InChIKeyAVEIRBOWLZOSIA-UHFFFAOYSA-N
MW120.22 g/mol
LogP1.39
Rot. Bonds4

About 1-ethoxy-2-methylsulfanylethane

1-ethoxy-2-methylsulfanylethane (PubChem CID 21280230) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is 1-ethoxy-2-methylsulfanylethane.

Molecular Properties

Compound Name1-ethoxy-2-methylsulfanylethane
PubChem CID21280230
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name1-ethoxy-2-methylsulfanylethane
SMILESCCOCCSC
InChIInChI=1S/C5H12OS/c1-3-6-4-5-7-2/h3-5H2,1-2H3
InChIKeyAVEIRBOWLZOSIA-UHFFFAOYSA-N
XLogP1.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methylsulfanylethane?
The IUPAC name of 1-ethoxy-2-methylsulfanylethane (CID 21280230) is 1-ethoxy-2-methylsulfanylethane.
What is the SMILES notation for 1-ethoxy-2-methylsulfanylethane?
The canonical SMILES for 1-ethoxy-2-methylsulfanylethane is CCOCCSC.
What is the InChIKey of 1-ethoxy-2-methylsulfanylethane?
The InChIKey is AVEIRBOWLZOSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS/c1-3-6-4-5-7-2/h3-5H2,1-2H3.
What are the key properties of 1-ethoxy-2-methylsulfanylethane?
1-ethoxy-2-methylsulfanylethane has a molecular weight of 120.22 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methylsulfanylethane is sourced from PubChem (CID 21280230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).