diethyl(2-sulfanylethyl)azanium

C6H16NS+ — CID 6950228

IUPACdiethyl(2-sulfanylethyl)azanium
SMILESCC[NH+](CC)CCS
InChIInChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3/p+1
InChIKeyYBDSNEVSFQMCTL-UHFFFAOYSA-O
MW134.27 g/mol
LogP-0.16
Rot. Bonds4

About diethyl(2-sulfanylethyl)azanium

diethyl(2-sulfanylethyl)azanium (PubChem CID 6950228) has the molecular formula C6H16NS+ and a molecular weight of 134.27 g/mol. Its IUPAC name is diethyl(2-sulfanylethyl)azanium.

Molecular Properties

Compound Namediethyl(2-sulfanylethyl)azanium
PubChem CID6950228
Molecular FormulaC6H16NS+
Molecular Weight134.27 g/mol
Exact Mass134.10
IUPAC Namediethyl(2-sulfanylethyl)azanium
SMILESCC[NH+](CC)CCS
InChIInChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3/p+1
InChIKeyYBDSNEVSFQMCTL-UHFFFAOYSA-O
XLogP-0.16
TPSA4.44 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl(2-sulfanylethyl)azanium?
The IUPAC name of diethyl(2-sulfanylethyl)azanium (CID 6950228) is diethyl(2-sulfanylethyl)azanium.
What is the SMILES notation for diethyl(2-sulfanylethyl)azanium?
The canonical SMILES for diethyl(2-sulfanylethyl)azanium is CC[NH+](CC)CCS.
What is the InChIKey of diethyl(2-sulfanylethyl)azanium?
The InChIKey is YBDSNEVSFQMCTL-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3/p+1.
What are the key properties of diethyl(2-sulfanylethyl)azanium?
diethyl(2-sulfanylethyl)azanium has a molecular weight of 134.27 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(2-sulfanylethyl)azanium is sourced from PubChem (CID 6950228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).