triethyl(ethylsulfanylmethyl)azanium iodide

C9H22INS — CID 3026642

IUPACtriethyl(ethylsulfanylmethyl)azanium iodide
SMILESCCSC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C9H22NS.HI/c1-5-10(6-2,7-3)9-11-8-4;/h5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyIISIXEPZVNWQTG-UHFFFAOYSA-M
MW303.25 g/mol
LogP-0.42
Rot. Bonds6

About triethyl(ethylsulfanylmethyl)azanium iodide

triethyl(ethylsulfanylmethyl)azanium iodide (PubChem CID 3026642) has the molecular formula C9H22INS and a molecular weight of 303.25 g/mol. Its IUPAC name is triethyl(ethylsulfanylmethyl)azanium iodide.

Molecular Properties

Compound Nametriethyl(ethylsulfanylmethyl)azanium iodide
PubChem CID3026642
Molecular FormulaC9H22INS
Molecular Weight303.25 g/mol
Exact Mass303.05
IUPAC Nametriethyl(ethylsulfanylmethyl)azanium iodide
SMILESCCSC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C9H22NS.HI/c1-5-10(6-2,7-3)9-11-8-4;/h5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyIISIXEPZVNWQTG-UHFFFAOYSA-M
XLogP-0.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 5-0.42
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(ethylsulfanylmethyl)azanium iodide?
The IUPAC name of triethyl(ethylsulfanylmethyl)azanium iodide (CID 3026642) is triethyl(ethylsulfanylmethyl)azanium iodide.
What is the SMILES notation for triethyl(ethylsulfanylmethyl)azanium iodide?
The canonical SMILES for triethyl(ethylsulfanylmethyl)azanium iodide is CCSC[N+](CC)(CC)CC.[I-].
What is the InChIKey of triethyl(ethylsulfanylmethyl)azanium iodide?
The InChIKey is IISIXEPZVNWQTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22NS.HI/c1-5-10(6-2,7-3)9-11-8-4;/h5-9H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethyl(ethylsulfanylmethyl)azanium iodide?
triethyl(ethylsulfanylmethyl)azanium iodide has a molecular weight of 303.25 g/mol, XLogP of -0.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(ethylsulfanylmethyl)azanium iodide is sourced from PubChem (CID 3026642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).