triethyl(sulfanyl)azanium

C6H16NS+ — CID 20528731

IUPACtriethyl(sulfanyl)azanium
SMILESCC[N+](S)(CC)CC
InChIInChI=1S/C6H16NS/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3/q+1
InChIKeyNHEDGANUGNUUDP-UHFFFAOYSA-N
MW134.27 g/mol
LogP1.71
Rot. Bonds3

About triethyl(sulfanyl)azanium

triethyl(sulfanyl)azanium (PubChem CID 20528731) has the molecular formula C6H16NS+ and a molecular weight of 134.27 g/mol. Its IUPAC name is triethyl(sulfanyl)azanium.

Molecular Properties

Compound Nametriethyl(sulfanyl)azanium
PubChem CID20528731
Molecular FormulaC6H16NS+
Molecular Weight134.27 g/mol
Exact Mass134.10
IUPAC Nametriethyl(sulfanyl)azanium
SMILESCC[N+](S)(CC)CC
InChIInChI=1S/C6H16NS/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3/q+1
InChIKeyNHEDGANUGNUUDP-UHFFFAOYSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze triethyl(sulfanyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethyl(sulfanyl)azanium?
The IUPAC name of triethyl(sulfanyl)azanium (CID 20528731) is triethyl(sulfanyl)azanium.
What is the SMILES notation for triethyl(sulfanyl)azanium?
The canonical SMILES for triethyl(sulfanyl)azanium is CC[N+](S)(CC)CC.
What is the InChIKey of triethyl(sulfanyl)azanium?
The InChIKey is NHEDGANUGNUUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NS/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3/q+1.
What are the key properties of triethyl(sulfanyl)azanium?
triethyl(sulfanyl)azanium has a molecular weight of 134.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(sulfanyl)azanium is sourced from PubChem (CID 20528731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).