2-sulfanylethylazanium iodide

C2H8INS — CID 146586317

IUPAC2-sulfanylethylazanium iodide
SMILES[I-].[NH3+]CCS
InChIInChI=1S/C2H7NS.HI/c3-1-2-4;/h4H,1-3H2;1H
InChIKeyZJFJYTCVHNRWFQ-UHFFFAOYSA-N
MW205.06 g/mol
LogP-3.84
Rot. Bonds1

About 2-sulfanylethylazanium iodide

2-sulfanylethylazanium iodide (PubChem CID 146586317) has the molecular formula C2H8INS and a molecular weight of 205.06 g/mol. Its IUPAC name is 2-sulfanylethylazanium iodide.

Molecular Properties

Compound Name2-sulfanylethylazanium iodide
PubChem CID146586317
Molecular FormulaC2H8INS
Molecular Weight205.06 g/mol
Exact Mass204.94
IUPAC Name2-sulfanylethylazanium iodide
SMILES[I-].[NH3+]CCS
InChIInChI=1S/C2H7NS.HI/c3-1-2-4;/h4H,1-3H2;1H
InChIKeyZJFJYTCVHNRWFQ-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 ≤ 500205.06
LogP ≤ 5-3.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylethylazanium iodide?
The IUPAC name of 2-sulfanylethylazanium iodide (CID 146586317) is 2-sulfanylethylazanium iodide.
What is the SMILES notation for 2-sulfanylethylazanium iodide?
The canonical SMILES for 2-sulfanylethylazanium iodide is [I-].[NH3+]CCS.
What is the InChIKey of 2-sulfanylethylazanium iodide?
The InChIKey is ZJFJYTCVHNRWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS.HI/c3-1-2-4;/h4H,1-3H2;1H.
What are the key properties of 2-sulfanylethylazanium iodide?
2-sulfanylethylazanium iodide has a molecular weight of 205.06 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 iodide is sourced from PubChem (CID 146586317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).