diethyl(methylsulfanyl)azanium

C5H14NS+ — CID 173395639

IUPACdiethyl(methylsulfanyl)azanium
SMILESCC[NH+](CC)SC
InChIInChI=1S/C5H13NS/c1-4-6(5-2)7-3/h4-5H2,1-3H3/p+1
InChIKeySRKZKZLXCIGXNE-UHFFFAOYSA-O
MW120.24 g/mol
LogP0.19
Rot. Bonds3

About diethyl(methylsulfanyl)azanium

diethyl(methylsulfanyl)azanium (PubChem CID 173395639) has the molecular formula C5H14NS+ and a molecular weight of 120.24 g/mol. Its IUPAC name is diethyl(methylsulfanyl)azanium.

Molecular Properties

Compound Namediethyl(methylsulfanyl)azanium
PubChem CID173395639
Molecular FormulaC5H14NS+
Molecular Weight120.24 g/mol
Exact Mass120.08
IUPAC Namediethyl(methylsulfanyl)azanium
SMILESCC[NH+](CC)SC
InChIInChI=1S/C5H13NS/c1-4-6(5-2)7-3/h4-5H2,1-3H3/p+1
InChIKeySRKZKZLXCIGXNE-UHFFFAOYSA-O
XLogP0.19
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(methylsulfanylamino)oxypropane
CID 130298845
hexane;methylsulfanylmethane
CID 161474362
1-methylsulfanylpropane;1-(propyldisulfanyl)propane
CID 159477892
hexane;tris((methyldisulfanyl)methane)
CID 162088093
N-(methylaminosulfanyl)propan-1-amine
CID 139439871
1-(2-methylsulfanylethyl)-2-propylhydrazine
CID 130291199
N-(methylsulfanylmethyl)propan-1-amine;hydrochloride
CID 71359883
butane;N-methylmethanamine;hydrochloride
CID 174856882
dichloromethane;methylsulfanylmethane;trihydrofluoride
CID 173164348
Triethylammonium borohydride
CID 6365648
S-methylthiohydroxylamine;propane
CID 18006374
lithium triethylazanium
CID 58758998

Frequently Asked Questions

What is the IUPAC name of diethyl(methylsulfanyl)azanium?
The IUPAC name of diethyl(methylsulfanyl)azanium (CID 173395639) is diethyl(methylsulfanyl)azanium.
What is the SMILES notation for diethyl(methylsulfanyl)azanium?
The canonical SMILES for diethyl(methylsulfanyl)azanium is CC[NH+](CC)SC.
What is the InChIKey of diethyl(methylsulfanyl)azanium?
The InChIKey is SRKZKZLXCIGXNE-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13NS/c1-4-6(5-2)7-3/h4-5H2,1-3H3/p+1.
What are the key properties of diethyl(methylsulfanyl)azanium?
diethyl(methylsulfanyl)azanium has a molecular weight of 120.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(methylsulfanyl)azanium is sourced from PubChem (CID 173395639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).