2-sulfanylethylazanium

C2H8NS+ — CID 3799953

IUPAC2-sulfanylethylazanium
SMILES[NH3+]CCS
InChIInChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/p+1
InChIKeyUFULAYFCSOUIOV-UHFFFAOYSA-O
MW78.16 g/mol
LogP-0.84
Rot. Bonds1

About 2-sulfanylethylazanium

2-sulfanylethylazanium (PubChem CID 3799953) has the molecular formula C2H8NS+ and a molecular weight of 78.16 g/mol. Its IUPAC name is 2-sulfanylethylazanium.

Molecular Properties

Compound Name2-sulfanylethylazanium
PubChem CID3799953
Molecular FormulaC2H8NS+
Molecular Weight78.16 g/mol
Exact Mass78.04
IUPAC Name2-sulfanylethylazanium
SMILES[NH3+]CCS
InChIInChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/p+1
InChIKeyUFULAYFCSOUIOV-UHFFFAOYSA-O
XLogP-0.84
TPSA27.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.16
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-sulfanylethylazanium 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 2-sulfanylethylazanium?
The IUPAC name of 2-sulfanylethylazanium (CID 3799953) is 2-sulfanylethylazanium.
What is the SMILES notation for 2-sulfanylethylazanium?
The canonical SMILES for 2-sulfanylethylazanium is [NH3+]CCS.
What is the InChIKey of 2-sulfanylethylazanium?
The InChIKey is UFULAYFCSOUIOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/p+1.
What are the key properties of 2-sulfanylethylazanium?
2-sulfanylethylazanium has a molecular weight of 78.16 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylethylazanium is sourced from PubChem (CID 3799953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).