[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium

C8H17N2S+ — CID 13262638

IUPAC[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium
SMILESCS/C(C=[N+](C)C)=C\N(C)C
InChIInChI=1S/C8H17N2S/c1-9(2)6-8(11-5)7-10(3)4/h6-7H,1-5H3/q+1
InChIKeyMCZPNXJRPMXXNL-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.10
Rot. Bonds3

About [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium

[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium (PubChem CID 13262638) has the molecular formula C8H17N2S+ and a molecular weight of 173.30 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium
PubChem CID13262638
Molecular FormulaC8H17N2S+
Molecular Weight173.30 g/mol
Exact Mass173.11
IUPAC Name[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium
SMILESCS/C(C=[N+](C)C)=C\N(C)C
InChIInChI=1S/C8H17N2S/c1-9(2)6-8(11-5)7-10(3)4/h6-7H,1-5H3/q+1
InChIKeyMCZPNXJRPMXXNL-UHFFFAOYSA-N
XLogP1.10
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
CID 13262639
[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide
CID 13262653
[(E)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide
CID 20027860
[3-(Dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium
CID 53955183
[3-(Dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide
CID 73675165
N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine
CID 123521389
(E)-N-ethyl-N'-methylidene-2-methylsulfanylprop-2-ene-1,3-diimine
CID 169924606
[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium
CID 13262641
[(E)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium
CID 20027858

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium (CID 13262638) is [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium is CS/C(C=[N+](C)C)=C\N(C)C.
What is the InChIKey of [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium?
The InChIKey is MCZPNXJRPMXXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2S/c1-9(2)6-8(11-5)7-10(3)4/h6-7H,1-5H3/q+1.
What are the key properties of [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium?
[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium has a molecular weight of 173.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 13262638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).