triethyl(methylsulfanylmethyl)azanium iodide

C8H20INS — CID 3026746

IUPACtriethyl(methylsulfanylmethyl)azanium iodide
SMILESCC[N+](CC)(CC)CSC.[I-]
InChIInChI=1S/C8H20NS.HI/c1-5-9(6-2,7-3)8-10-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyZBHJFAJYEZIUMO-UHFFFAOYSA-M
MW289.23 g/mol
LogP-0.81
Rot. Bonds5

About triethyl(methylsulfanylmethyl)azanium iodide

triethyl(methylsulfanylmethyl)azanium iodide (PubChem CID 3026746) has the molecular formula C8H20INS and a molecular weight of 289.23 g/mol. Its IUPAC name is triethyl(methylsulfanylmethyl)azanium iodide.

Molecular Properties

Compound Nametriethyl(methylsulfanylmethyl)azanium iodide
PubChem CID3026746
Molecular FormulaC8H20INS
Molecular Weight289.23 g/mol
Exact Mass289.04
IUPAC Nametriethyl(methylsulfanylmethyl)azanium iodide
SMILESCC[N+](CC)(CC)CSC.[I-]
InChIInChI=1S/C8H20NS.HI/c1-5-9(6-2,7-3)8-10-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyZBHJFAJYEZIUMO-UHFFFAOYSA-M
XLogP-0.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl(methylsulfanylmethyl)azanium iodide?
The IUPAC name of triethyl(methylsulfanylmethyl)azanium iodide (CID 3026746) is triethyl(methylsulfanylmethyl)azanium iodide.
What is the SMILES notation for triethyl(methylsulfanylmethyl)azanium iodide?
The canonical SMILES for triethyl(methylsulfanylmethyl)azanium iodide is CC[N+](CC)(CC)CSC.[I-].
What is the InChIKey of triethyl(methylsulfanylmethyl)azanium iodide?
The InChIKey is ZBHJFAJYEZIUMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NS.HI/c1-5-9(6-2,7-3)8-10-4;/h5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethyl(methylsulfanylmethyl)azanium iodide?
triethyl(methylsulfanylmethyl)azanium iodide has a molecular weight of 289.23 g/mol, XLogP of -0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(methylsulfanylmethyl)azanium iodide is sourced from PubChem (CID 3026746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).