diethyl-methyl-(methylsulfanylmethyl)azanium

C7H18NS+ — CID 123930131

IUPACdiethyl-methyl-(methylsulfanylmethyl)azanium
SMILESCC[N+](C)(CC)CSC
InChIInChI=1S/C7H18NS/c1-5-8(3,6-2)7-9-4/h5-7H2,1-4H3/q+1
InChIKeyOZDUHPOPNWLFKR-UHFFFAOYSA-N
MW148.29 g/mol
LogP1.79
Rot. Bonds4

About diethyl-methyl-(methylsulfanylmethyl)azanium

diethyl-methyl-(methylsulfanylmethyl)azanium (PubChem CID 123930131) has the molecular formula C7H18NS+ and a molecular weight of 148.29 g/mol. Its IUPAC name is diethyl-methyl-(methylsulfanylmethyl)azanium.

Molecular Properties

Compound Namediethyl-methyl-(methylsulfanylmethyl)azanium
PubChem CID123930131
Molecular FormulaC7H18NS+
Molecular Weight148.29 g/mol
Exact Mass148.12
IUPAC Namediethyl-methyl-(methylsulfanylmethyl)azanium
SMILESCC[N+](C)(CC)CSC
InChIInChI=1S/C7H18NS/c1-5-8(3,6-2)7-9-4/h5-7H2,1-4H3/q+1
InChIKeyOZDUHPOPNWLFKR-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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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Related Compounds

triethyl(methylsulfanylmethyl)azanium iodide
CID 3026746
hydron;triethyl(methyl)azanium;tetrafluoroborate
CID 87302670
triethyl(methyl)azanium iodate
CID 158535675
bromomethyl-ethyl-methyl-propylazanium
CID 123781135
perchloric acid;triethyl(methyl)azanium
CID 87764447
diethyl(dimethyl)azanium;bromide;hydrate
CID 174914404
bromo(trifluoro)boranuide;triethyl(methyl)azanium
CID 140836561
bromo(trichloro)boranuide;triethyl(methyl)azanium
CID 140836548
ethyl(trimethyl)azanium;dihydrate
CID 174491612
methanesulfonic acid;triethyl(methyl)azanium
CID 87743130
dibutyl-ethyl-methylazanium chloride
CID 22486999
ethoxymethyl-diethyl-methylazanium
CID 23136746

Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-(methylsulfanylmethyl)azanium?
The IUPAC name of diethyl-methyl-(methylsulfanylmethyl)azanium (CID 123930131) is diethyl-methyl-(methylsulfanylmethyl)azanium.
What is the SMILES notation for diethyl-methyl-(methylsulfanylmethyl)azanium?
The canonical SMILES for diethyl-methyl-(methylsulfanylmethyl)azanium is CC[N+](C)(CC)CSC.
What is the InChIKey of diethyl-methyl-(methylsulfanylmethyl)azanium?
The InChIKey is OZDUHPOPNWLFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NS/c1-5-8(3,6-2)7-9-4/h5-7H2,1-4H3/q+1.
What are the key properties of diethyl-methyl-(methylsulfanylmethyl)azanium?
diethyl-methyl-(methylsulfanylmethyl)azanium has a molecular weight of 148.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-(methylsulfanylmethyl)azanium is sourced from PubChem (CID 123930131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).