trimethyl(2-methylsulfanylethyl)azanium chloride

C6H16ClNS — CID 88852925

IUPACtrimethyl(2-methylsulfanylethyl)azanium chloride
SMILESCSCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H16NS.ClH/c1-7(2,3)5-6-8-4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyRQAIAMNSOKGWTP-UHFFFAOYSA-M
MW169.72 g/mol
LogP-1.94
Rot. Bonds3

About trimethyl(2-methylsulfanylethyl)azanium chloride

trimethyl(2-methylsulfanylethyl)azanium chloride (PubChem CID 88852925) has the molecular formula C6H16ClNS and a molecular weight of 169.72 g/mol. Its IUPAC name is trimethyl(2-methylsulfanylethyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(2-methylsulfanylethyl)azanium chloride
PubChem CID88852925
Molecular FormulaC6H16ClNS
Molecular Weight169.72 g/mol
Exact Mass169.07
IUPAC Nametrimethyl(2-methylsulfanylethyl)azanium chloride
SMILESCSCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H16NS.ClH/c1-7(2,3)5-6-8-4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyRQAIAMNSOKGWTP-UHFFFAOYSA-M
XLogP-1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.72
LogP ≤ 5-1.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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dimethyl-(2-methylsulfanylethyl)-octylazanium
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trimethyl-[2-(pentadecyldisulfanyl)ethyl]azanium chloride
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trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide
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2-diethylphosphorylsulfanylethyl(trimethyl)azanium
CID 172774852
CID 171042466
CID 171042466
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2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
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2-(3-methoxypropylsulfanyl)ethyl-trimethylazanium
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Frequently Asked Questions

What is the IUPAC name of trimethyl(2-methylsulfanylethyl)azanium chloride?
The IUPAC name of trimethyl(2-methylsulfanylethyl)azanium chloride (CID 88852925) is trimethyl(2-methylsulfanylethyl)azanium chloride.
What is the SMILES notation for trimethyl(2-methylsulfanylethyl)azanium chloride?
The canonical SMILES for trimethyl(2-methylsulfanylethyl)azanium chloride is CSCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(2-methylsulfanylethyl)azanium chloride?
The InChIKey is RQAIAMNSOKGWTP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NS.ClH/c1-7(2,3)5-6-8-4;/h5-6H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(2-methylsulfanylethyl)azanium chloride?
trimethyl(2-methylsulfanylethyl)azanium chloride has a molecular weight of 169.72 g/mol, XLogP of -1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-methylsulfanylethyl)azanium chloride is sourced from PubChem (CID 88852925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).