trimethyl(3-methylsulfanylpropyl)azanium iodide

C7H18INS — CID 3026748

IUPACtrimethyl(3-methylsulfanylpropyl)azanium iodide
SMILESCSCCC[N+](C)(C)C.[I-]
InChIInChI=1S/C7H18NS.HI/c1-8(2,3)6-5-7-9-4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyDIOAPGJDXQEBHT-UHFFFAOYSA-M
MW275.20 g/mol
LogP-1.55
Rot. Bonds4

About trimethyl(3-methylsulfanylpropyl)azanium iodide

trimethyl(3-methylsulfanylpropyl)azanium iodide (PubChem CID 3026748) has the molecular formula C7H18INS and a molecular weight of 275.20 g/mol. Its IUPAC name is trimethyl(3-methylsulfanylpropyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(3-methylsulfanylpropyl)azanium iodide
PubChem CID3026748
Molecular FormulaC7H18INS
Molecular Weight275.20 g/mol
Exact Mass275.02
IUPAC Nametrimethyl(3-methylsulfanylpropyl)azanium iodide
SMILESCSCCC[N+](C)(C)C.[I-]
InChIInChI=1S/C7H18NS.HI/c1-8(2,3)6-5-7-9-4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyDIOAPGJDXQEBHT-UHFFFAOYSA-M
XLogP-1.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 5-1.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 trimethyl(3-methylsulfanylpropyl)azanium iodide?
The IUPAC name of trimethyl(3-methylsulfanylpropyl)azanium iodide (CID 3026748) is trimethyl(3-methylsulfanylpropyl)azanium iodide.
What is the SMILES notation for trimethyl(3-methylsulfanylpropyl)azanium iodide?
The canonical SMILES for trimethyl(3-methylsulfanylpropyl)azanium iodide is CSCCC[N+](C)(C)C.[I-].
What is the InChIKey of trimethyl(3-methylsulfanylpropyl)azanium iodide?
The InChIKey is DIOAPGJDXQEBHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18NS.HI/c1-8(2,3)6-5-7-9-4;/h5-7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(3-methylsulfanylpropyl)azanium iodide?
trimethyl(3-methylsulfanylpropyl)azanium iodide has a molecular weight of 275.20 g/mol, XLogP of -1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-methylsulfanylpropyl)azanium iodide is sourced from PubChem (CID 3026748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).