[1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium

C11H23N2S2+ — CID 11728465

IUPAC[1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium
SMILESCCN(CC)C(C(=S)SC)=[N+](CC)CC
InChIInChI=1S/C11H23N2S2/c1-6-12(7-2)10(11(14)15-5)13(8-3)9-4/h6-9H2,1-5H3/q+1
InChIKeyRLWVUPMVYYYSQZ-UHFFFAOYSA-N
MW247.45 g/mol
LogP2.47
Rot. Bonds4

About [1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium

[1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium (PubChem CID 11728465) has the molecular formula C11H23N2S2+ and a molecular weight of 247.45 g/mol. Its IUPAC name is [1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium.

Molecular Properties

Compound Name[1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium
PubChem CID11728465
Molecular FormulaC11H23N2S2+
Molecular Weight247.45 g/mol
Exact Mass247.13
IUPAC Name[1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium
SMILESCCN(CC)C(C(=S)SC)=[N+](CC)CC
InChIInChI=1S/C11H23N2S2/c1-6-12(7-2)10(11(14)15-5)13(8-3)9-4/h6-9H2,1-5H3/q+1
InChIKeyRLWVUPMVYYYSQZ-UHFFFAOYSA-N
XLogP2.47
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(Diethylamino)-2-diethylazaniumylideneethanedithioate
CID 10900518
N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide
CID 123463688
[1-(Diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium
CID 10900519
[1-(Diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium iodide
CID 11728464
[1-(Diethylamino)-2-[[2-(diethylamino)-2-diethylazaniumylideneethanethioyl]sulfanylmethylsulfanyl]-2-sulfanylideneethylidene]-diethylazanium
CID 101180170
[1-(Diethylamino)-2-[2-(diethylamino)-2-diethylazaniumylideneethanethioyl]sulfanylethylidene]-diethylazanium
CID 139084681

Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium?
The IUPAC name of [1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium (CID 11728465) is [1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium.
What is the SMILES notation for [1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium?
The canonical SMILES for [1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium is CCN(CC)C(C(=S)SC)=[N+](CC)CC.
What is the InChIKey of [1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium?
The InChIKey is RLWVUPMVYYYSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2S2/c1-6-12(7-2)10(11(14)15-5)13(8-3)9-4/h6-9H2,1-5H3/q+1.
What are the key properties of [1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium?
[1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium has a molecular weight of 247.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)-2-methylsulfanyl-2-sulfanylideneethylidene]-diethylazanium is sourced from PubChem (CID 11728465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).