2-sulfanylethylazanium chloride

C2H8ClNS — CID 10953464

IUPAC2-sulfanylethylazanium chloride
SMILES[Cl-].[NH3+]CCS
InChIInChI=1S/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H
InChIKeyOGMADIBCHLQMIP-UHFFFAOYSA-N
MW113.61 g/mol
LogP-3.84
Rot. Bonds1

About 2-sulfanylethylazanium chloride

2-sulfanylethylazanium chloride (PubChem CID 10953464) has the molecular formula C2H8ClNS and a molecular weight of 113.61 g/mol. Its IUPAC name is 2-sulfanylethylazanium chloride.

Molecular Properties

Compound Name2-sulfanylethylazanium chloride
PubChem CID10953464
Molecular FormulaC2H8ClNS
Molecular Weight113.61 g/mol
Exact Mass113.01
IUPAC Name2-sulfanylethylazanium chloride
SMILES[Cl-].[NH3+]CCS
InChIInChI=1S/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H
InChIKeyOGMADIBCHLQMIP-UHFFFAOYSA-N
XLogP-3.84
TPSA27.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.61
LogP ≤ 5-3.84
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 2-sulfanylethylazanium chloride?
The IUPAC name of 2-sulfanylethylazanium chloride (CID 10953464) is 2-sulfanylethylazanium chloride.
What is the SMILES notation for 2-sulfanylethylazanium chloride?
The canonical SMILES for 2-sulfanylethylazanium chloride is [Cl-].[NH3+]CCS.
What is the InChIKey of 2-sulfanylethylazanium chloride?
The InChIKey is OGMADIBCHLQMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H.
What are the key properties of 2-sulfanylethylazanium chloride?
2-sulfanylethylazanium chloride has a molecular weight of 113.61 g/mol, XLogP of -3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylethylazanium chloride is sourced from PubChem (CID 10953464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).