[diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide

C11H25IN2S — CID 87472894

IUPAC[diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide
SMILESCCSC(N(CC)CC)=[N+](CC)CC.[I-]
InChIInChI=1S/C11H25N2S.HI/c1-6-12(7-2)11(14-10-5)13(8-3)9-4;/h6-10H2,1-5H3;1H/q+1;/p-1
InChIKeyPYCAJTBBYMOPTF-UHFFFAOYSA-M
MW344.31 g/mol
LogP-0.51
Rot. Bonds5

About [diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide

[diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide (PubChem CID 87472894) has the molecular formula C11H25IN2S and a molecular weight of 344.31 g/mol. Its IUPAC name is [diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide.

Molecular Properties

Compound Name[diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide
PubChem CID87472894
Molecular FormulaC11H25IN2S
Molecular Weight344.31 g/mol
Exact Mass344.08
IUPAC Name[diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide
SMILESCCSC(N(CC)CC)=[N+](CC)CC.[I-]
InChIInChI=1S/C11H25N2S.HI/c1-6-12(7-2)11(14-10-5)13(8-3)9-4;/h6-10H2,1-5H3;1H/q+1;/p-1
InChIKeyPYCAJTBBYMOPTF-UHFFFAOYSA-M
XLogP-0.51
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 5-0.51
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 [diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide?
The IUPAC name of [diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide (CID 87472894) is [diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide.
What is the SMILES notation for [diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide?
The canonical SMILES for [diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide is CCSC(N(CC)CC)=[N+](CC)CC.[I-].
What is the InChIKey of [diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide?
The InChIKey is PYCAJTBBYMOPTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H25N2S.HI/c1-6-12(7-2)11(14-10-5)13(8-3)9-4;/h6-10H2,1-5H3;1H/q+1;/p-1.
What are the key properties of [diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide?
[diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide has a molecular weight of 344.31 g/mol, XLogP of -0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide is sourced from PubChem (CID 87472894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).