ethylsulfanyloxyethane

C4H10OS — CID 14747183

IUPACethylsulfanyloxyethane
SMILESCCOSCC
InChIInChI=1S/C4H10OS/c1-3-5-6-4-2/h3-4H2,1-2H3
InChIKeyWCHDREISEUSZHT-UHFFFAOYSA-N
MW106.19 g/mol
LogP1.69
Rot. Bonds3

About ethylsulfanyloxyethane

ethylsulfanyloxyethane (PubChem CID 14747183) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is ethylsulfanyloxyethane.

Molecular Properties

Compound Nameethylsulfanyloxyethane
PubChem CID14747183
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Nameethylsulfanyloxyethane
SMILESCCOSCC
InChIInChI=1S/C4H10OS/c1-3-5-6-4-2/h3-4H2,1-2H3
InChIKeyWCHDREISEUSZHT-UHFFFAOYSA-N
XLogP1.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanyloxyethane?
The IUPAC name of ethylsulfanyloxyethane (CID 14747183) is ethylsulfanyloxyethane.
What is the SMILES notation for ethylsulfanyloxyethane?
The canonical SMILES for ethylsulfanyloxyethane is CCOSCC.
What is the InChIKey of ethylsulfanyloxyethane?
The InChIKey is WCHDREISEUSZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS/c1-3-5-6-4-2/h3-4H2,1-2H3.
What are the key properties of ethylsulfanyloxyethane?
ethylsulfanyloxyethane has a molecular weight of 106.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanyloxyethane is sourced from PubChem (CID 14747183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).