[[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium

C7H17N2S+ — CID 87343668

IUPAC[[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
SMILESCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C7H17N2S/c1-6-9(4)7(10-5)8(2)3/h6H2,1-5H3/q+1
InChIKeyBEROZARSNTXZGZ-UHFFFAOYSA-N
MW161.29 g/mol
LogP0.93
Rot. Bonds1

About [[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium

[[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium (PubChem CID 87343668) has the molecular formula C7H17N2S+ and a molecular weight of 161.29 g/mol. Its IUPAC name is [[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium.

Molecular Properties

Compound Name[[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
PubChem CID87343668
Molecular FormulaC7H17N2S+
Molecular Weight161.29 g/mol
Exact Mass161.11
IUPAC Name[[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
SMILESCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C7H17N2S/c1-6-9(4)7(10-5)8(2)3/h6H2,1-5H3/q+1
InChIKeyBEROZARSNTXZGZ-UHFFFAOYSA-N
XLogP0.93
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 50.93
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 [[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
The IUPAC name of [[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium (CID 87343668) is [[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium.
What is the SMILES notation for [[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
The canonical SMILES for [[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium is CCN(C)C(SC)=[N+](C)C.
What is the InChIKey of [[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
The InChIKey is BEROZARSNTXZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2S/c1-6-9(4)7(10-5)8(2)3/h6H2,1-5H3/q+1.
What are the key properties of [[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
[[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium has a molecular weight of 161.29 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium is sourced from PubChem (CID 87343668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).