ethyl-(2-hydroxyethyl)-methylsulfanium

C5H13OS+ — CID 3056979

IUPACethyl-(2-hydroxyethyl)-methylsulfanium
SMILESCC[S+](C)CCO
InChIInChI=1S/C5H13OS/c1-3-7(2)5-4-6/h6H,3-5H2,1-2H3/q+1
InChIKeySDOZOXGFOVACJA-UHFFFAOYSA-N
MW121.23 g/mol
LogP0.25
Rot. Bonds3

About ethyl-(2-hydroxyethyl)-methylsulfanium

ethyl-(2-hydroxyethyl)-methylsulfanium (PubChem CID 3056979) has the molecular formula C5H13OS+ and a molecular weight of 121.23 g/mol. Its IUPAC name is ethyl-(2-hydroxyethyl)-methylsulfanium.

Molecular Properties

Compound Nameethyl-(2-hydroxyethyl)-methylsulfanium
PubChem CID3056979
Molecular FormulaC5H13OS+
Molecular Weight121.23 g/mol
Exact Mass121.07
IUPAC Nameethyl-(2-hydroxyethyl)-methylsulfanium
SMILESCC[S+](C)CCO
InChIInChI=1S/C5H13OS/c1-3-7(2)5-4-6/h6H,3-5H2,1-2H3/q+1
InChIKeySDOZOXGFOVACJA-UHFFFAOYSA-N
XLogP0.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-(2-hydroxyethyl)-methylsulfanium?
The IUPAC name of ethyl-(2-hydroxyethyl)-methylsulfanium (CID 3056979) is ethyl-(2-hydroxyethyl)-methylsulfanium.
What is the SMILES notation for ethyl-(2-hydroxyethyl)-methylsulfanium?
The canonical SMILES for ethyl-(2-hydroxyethyl)-methylsulfanium is CC[S+](C)CCO.
What is the InChIKey of ethyl-(2-hydroxyethyl)-methylsulfanium?
The InChIKey is SDOZOXGFOVACJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13OS/c1-3-7(2)5-4-6/h6H,3-5H2,1-2H3/q+1.
What are the key properties of ethyl-(2-hydroxyethyl)-methylsulfanium?
ethyl-(2-hydroxyethyl)-methylsulfanium has a molecular weight of 121.23 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-hydroxyethyl)-methylsulfanium is sourced from PubChem (CID 3056979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).