2-ethylsulfanylethyl(trimethyl)azanium

C7H18NS+ — CID 3026641

IUPAC2-ethylsulfanylethyl(trimethyl)azanium
SMILESCCSCC[N+](C)(C)C
InChIInChI=1S/C7H18NS/c1-5-9-7-6-8(2,3)4/h5-7H2,1-4H3/q+1
InChIKeyVQASHKXACZTIBQ-UHFFFAOYSA-N
MW148.29 g/mol
LogP1.45
Rot. Bonds4

About 2-ethylsulfanylethyl(trimethyl)azanium

2-ethylsulfanylethyl(trimethyl)azanium (PubChem CID 3026641) has the molecular formula C7H18NS+ and a molecular weight of 148.29 g/mol. Its IUPAC name is 2-ethylsulfanylethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-ethylsulfanylethyl(trimethyl)azanium
PubChem CID3026641
Molecular FormulaC7H18NS+
Molecular Weight148.29 g/mol
Exact Mass148.12
IUPAC Name2-ethylsulfanylethyl(trimethyl)azanium
SMILESCCSCC[N+](C)(C)C
InChIInChI=1S/C7H18NS/c1-5-9-7-6-8(2,3)4/h5-7H2,1-4H3/q+1
InChIKeyVQASHKXACZTIBQ-UHFFFAOYSA-N
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethyl(trimethyl)azanium?
The IUPAC name of 2-ethylsulfanylethyl(trimethyl)azanium (CID 3026641) is 2-ethylsulfanylethyl(trimethyl)azanium.
What is the SMILES notation for 2-ethylsulfanylethyl(trimethyl)azanium?
The canonical SMILES for 2-ethylsulfanylethyl(trimethyl)azanium is CCSCC[N+](C)(C)C.
What is the InChIKey of 2-ethylsulfanylethyl(trimethyl)azanium?
The InChIKey is VQASHKXACZTIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NS/c1-5-9-7-6-8(2,3)4/h5-7H2,1-4H3/q+1.
What are the key properties of 2-ethylsulfanylethyl(trimethyl)azanium?
2-ethylsulfanylethyl(trimethyl)azanium has a molecular weight of 148.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethyl(trimethyl)azanium is sourced from PubChem (CID 3026641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).