[1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium

C7H17N2S+ — CID 12902153

IUPAC[1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium
SMILESCSCC(N(C)C)=[N+](C)C
InChIInChI=1S/C7H17N2S/c1-8(2)7(6-10-5)9(3)4/h6H2,1-5H3/q+1
InChIKeyKUHCMGUUZZBXIT-UHFFFAOYSA-N
MW161.29 g/mol
LogP0.58
Rot. Bonds2

About [1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium

[1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium (PubChem CID 12902153) has the molecular formula C7H17N2S+ and a molecular weight of 161.29 g/mol. Its IUPAC name is [1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium.

Molecular Properties

Compound Name[1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium
PubChem CID12902153
Molecular FormulaC7H17N2S+
Molecular Weight161.29 g/mol
Exact Mass161.11
IUPAC Name[1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium
SMILESCSCC(N(C)C)=[N+](C)C
InChIInChI=1S/C7H17N2S/c1-8(2)7(6-10-5)9(3)4/h6H2,1-5H3/q+1
InChIKeyKUHCMGUUZZBXIT-UHFFFAOYSA-N
XLogP0.58
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 50.58
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 [1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium?
The IUPAC name of [1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium (CID 12902153) is [1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium.
What is the SMILES notation for [1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium?
The canonical SMILES for [1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium is CSCC(N(C)C)=[N+](C)C.
What is the InChIKey of [1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium?
The InChIKey is KUHCMGUUZZBXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2S/c1-8(2)7(6-10-5)9(3)4/h6H2,1-5H3/q+1.
What are the key properties of [1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium?
[1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium has a molecular weight of 161.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium is sourced from PubChem (CID 12902153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).