dimethyliodanium;tetramethylazanium;trimethylsulfanium

C9H27INS+3 — CID 157484876

IUPACdimethyliodanium;tetramethylazanium;trimethylsulfanium
SMILESC[I+]C.C[N+](C)(C)C.C[S+](C)C
InChIInChI=1S/C4H12N.C3H9S.C2H6I/c1-5(2,3)4;1-4(2)3;1-3-2/h1-4H3;1-3H3;1-2H3/q3*+1
InChIKeyBWOZTPBAMQNBKD-UHFFFAOYSA-N
MW308.29 g/mol
LogP-1.85
Rot. Bonds

About dimethyliodanium;tetramethylazanium;trimethylsulfanium

dimethyliodanium;tetramethylazanium;trimethylsulfanium (PubChem CID 157484876) has the molecular formula C9H27INS+3 and a molecular weight of 308.29 g/mol. Its IUPAC name is dimethyliodanium;tetramethylazanium;trimethylsulfanium.

Molecular Properties

Compound Namedimethyliodanium;tetramethylazanium;trimethylsulfanium
PubChem CID157484876
Molecular FormulaC9H27INS+3
Molecular Weight308.29 g/mol
Exact Mass308.09
IUPAC Namedimethyliodanium;tetramethylazanium;trimethylsulfanium
SMILESC[I+]C.C[N+](C)(C)C.C[S+](C)C
InChIInChI=1S/C4H12N.C3H9S.C2H6I/c1-5(2,3)4;1-4(2)3;1-3-2/h1-4H3;1-3H3;1-2H3/q3*+1
InChIKeyBWOZTPBAMQNBKD-UHFFFAOYSA-N
XLogP-1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 5-1.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', '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 dimethyliodanium;tetramethylazanium;trimethylsulfanium?
The IUPAC name of dimethyliodanium;tetramethylazanium;trimethylsulfanium (CID 157484876) is dimethyliodanium;tetramethylazanium;trimethylsulfanium.
What is the SMILES notation for dimethyliodanium;tetramethylazanium;trimethylsulfanium?
The canonical SMILES for dimethyliodanium;tetramethylazanium;trimethylsulfanium is C[I+]C.C[N+](C)(C)C.C[S+](C)C.
What is the InChIKey of dimethyliodanium;tetramethylazanium;trimethylsulfanium?
The InChIKey is BWOZTPBAMQNBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.C3H9S.C2H6I/c1-5(2,3)4;1-4(2)3;1-3-2/h1-4H3;1-3H3;1-2H3/q3*+1.
What are the key properties of dimethyliodanium;tetramethylazanium;trimethylsulfanium?
dimethyliodanium;tetramethylazanium;trimethylsulfanium has a molecular weight of 308.29 g/mol, XLogP of -1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyliodanium;tetramethylazanium;trimethylsulfanium is sourced from PubChem (CID 157484876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).