[dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide

C7H17IN2S — CID 87100218

IUPAC[dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide
SMILESCCSC(N(C)C)=[N+](C)C.[I-]
InChIInChI=1S/C7H17N2S.HI/c1-6-10-7(8(2)3)9(4)5;/h6H2,1-5H3;1H/q+1;/p-1
InChIKeyBUVOLCFWIMMBJN-UHFFFAOYSA-M
MW288.20 g/mol
LogP-2.07
Rot. Bonds1

About [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide

[dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide (PubChem CID 87100218) has the molecular formula C7H17IN2S and a molecular weight of 288.20 g/mol. Its IUPAC name is [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide.

Molecular Properties

Compound Name[dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide
PubChem CID87100218
Molecular FormulaC7H17IN2S
Molecular Weight288.20 g/mol
Exact Mass288.02
IUPAC Name[dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide
SMILESCCSC(N(C)C)=[N+](C)C.[I-]
InChIInChI=1S/C7H17N2S.HI/c1-6-10-7(8(2)3)9(4)5;/h6H2,1-5H3;1H/q+1;/p-1
InChIKeyBUVOLCFWIMMBJN-UHFFFAOYSA-M
XLogP-2.07
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 5-2.07
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': 'iodine', '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 iodide?
The IUPAC name of [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide (CID 87100218) is [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide.
What is the SMILES notation for [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide?
The canonical SMILES for [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide is CCSC(N(C)C)=[N+](C)C.[I-].
What is the InChIKey of [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide?
The InChIKey is BUVOLCFWIMMBJN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17N2S.HI/c1-6-10-7(8(2)3)9(4)5;/h6H2,1-5H3;1H/q+1;/p-1.
What are the key properties of [dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide?
[dimethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide has a molecular weight of 288.20 g/mol, XLogP of -2.07, 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 iodide is sourced from PubChem (CID 87100218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).