[diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide

C10H23IN2S — CID 87472061

IUPAC[diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide
SMILESCCN(CC)C(SC)=[N+](CC)CC.[I-]
InChIInChI=1S/C10H23N2S.HI/c1-6-11(7-2)10(13-5)12(8-3)9-4;/h6-9H2,1-5H3;1H/q+1;/p-1
InChIKeyWVMHEMJZUKBQGT-UHFFFAOYSA-M
MW330.28 g/mol
LogP-0.90
Rot. Bonds4

About [diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide

[diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide (PubChem CID 87472061) has the molecular formula C10H23IN2S and a molecular weight of 330.28 g/mol. Its IUPAC name is [diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide.

Molecular Properties

Compound Name[diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide
PubChem CID87472061
Molecular FormulaC10H23IN2S
Molecular Weight330.28 g/mol
Exact Mass330.06
IUPAC Name[diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide
SMILESCCN(CC)C(SC)=[N+](CC)CC.[I-]
InChIInChI=1S/C10H23N2S.HI/c1-6-11(7-2)10(13-5)12(8-3)9-4;/h6-9H2,1-5H3;1H/q+1;/p-1
InChIKeyWVMHEMJZUKBQGT-UHFFFAOYSA-M
XLogP-0.90
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 5-0.90
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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Related Compounds

[[Di(propan-2-yl)amino]-methylsulfanylmethylidene]-dimethylazanium iodide
CID 176442201
Methyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]-propan-2-ylazanium iodide
CID 176442203
1-ethyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide
CID 75527806
methyl N,N-diethyl-N'-methylcarbamimidothioate
CID 20148710
methyl N,N'-dimethyl-N-propylcarbamimidothioate
CID 21718287
methyl N,N'-diethyl-N-methylcarbamimidothioate
CID 57031942
methyl N'-cyano-N,N-diethylcarbamimidothioate
CID 80489751
[[Ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
CID 87343668
[Diethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide
CID 87470771
[Diethylamino(methylsulfanyl)methylidene]-dimethylazanium iodide
CID 87470963
[Diethylamino(propylsulfanyl)methylidene]-diethylazanium iodide
CID 87471067
[Butylsulfanyl(diethylamino)methylidene]-diethylazanium iodide
CID 87471265

Frequently Asked Questions

What is the IUPAC name of [diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide?
The IUPAC name of [diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide (CID 87472061) is [diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide.
What is the SMILES notation for [diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide?
The canonical SMILES for [diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide is CCN(CC)C(SC)=[N+](CC)CC.[I-].
What is the InChIKey of [diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide?
The InChIKey is WVMHEMJZUKBQGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23N2S.HI/c1-6-11(7-2)10(13-5)12(8-3)9-4;/h6-9H2,1-5H3;1H/q+1;/p-1.
What are the key properties of [diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide?
[diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide has a molecular weight of 330.28 g/mol, XLogP of -0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide is sourced from PubChem (CID 87472061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).