trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium

C8H22N2S+2 — CID 58301030

IUPACtrimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium
SMILESC[N+](C)(C)CSC[N+](C)(C)C
InChIInChI=1S/C8H22N2S/c1-9(2,3)7-11-8-10(4,5)6/h7-8H2,1-6H3/q+2
InChIKeyIHYFVEWNUOQYAF-UHFFFAOYSA-N
MW178.34 g/mol
LogP1.05
Rot. Bonds4

About trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium

trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium (PubChem CID 58301030) has the molecular formula C8H22N2S+2 and a molecular weight of 178.34 g/mol. Its IUPAC name is trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium
PubChem CID58301030
Molecular FormulaC8H22N2S+2
Molecular Weight178.34 g/mol
Exact Mass178.15
IUPAC Nametrimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium
SMILESC[N+](C)(C)CSC[N+](C)(C)C
InChIInChI=1S/C8H22N2S/c1-9(2,3)7-11-8-10(4,5)6/h7-8H2,1-6H3/q+2
InChIKeyIHYFVEWNUOQYAF-UHFFFAOYSA-N
XLogP1.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.34
LogP ≤ 51.05
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium?
The IUPAC name of trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium (CID 58301030) is trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium.
What is the SMILES notation for trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium?
The canonical SMILES for trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium is C[N+](C)(C)CSC[N+](C)(C)C.
What is the InChIKey of trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium?
The InChIKey is IHYFVEWNUOQYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2S/c1-9(2,3)7-11-8-10(4,5)6/h7-8H2,1-6H3/q+2.
What are the key properties of trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium?
trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium has a molecular weight of 178.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(trimethylazaniumyl)methylsulfanylmethyl]azanium is sourced from PubChem (CID 58301030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).