[dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium

C7H17N2S+ — CID 2724067

IUPAC[dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium
SMILESCCSC(N(C)C)=[N+](C)C
InChIInChI=1S/C7H17N2S/c1-6-10-7(8(2)3)9(4)5/h6H2,1-5H3/q+1
InChIKeyZSLGJEHXLJKLKW-UHFFFAOYSA-N
MW161.29 g/mol
LogP0.93
Rot. Bonds1

About [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium

[dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium (PubChem CID 2724067) has the molecular formula C7H17N2S+ and a molecular weight of 161.29 g/mol. Its IUPAC name is [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium
PubChem CID2724067
Molecular FormulaC7H17N2S+
Molecular Weight161.29 g/mol
Exact Mass161.11
IUPAC Name[dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium
SMILESCCSC(N(C)C)=[N+](C)C
InChIInChI=1S/C7H17N2S/c1-6-10-7(8(2)3)9(4)5/h6H2,1-5H3/q+1
InChIKeyZSLGJEHXLJKLKW-UHFFFAOYSA-N
XLogP0.93
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium (CID 2724067) is [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium is CCSC(N(C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium?
The InChIKey is ZSLGJEHXLJKLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2S/c1-6-10-7(8(2)3)9(4)5/h6H2,1-5H3/q+1.
What are the key properties of [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium?
[dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium has a molecular weight of 161.29 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium is sourced from PubChem (CID 2724067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).