bis[2-(dimethylamino)ethoxy]methanethione

C9H20N2O2S — CID 88923851

IUPACbis[2-(dimethylamino)ethoxy]methanethione
SMILESCN(C)CCOC(=S)OCCN(C)C
InChIInChI=1S/C9H20N2O2S/c1-10(2)5-7-12-9(14)13-8-6-11(3)4/h5-8H2,1-4H3
InChIKeyMANCPJCEBNCNOK-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.43
Rot. Bonds6

About bis[2-(dimethylamino)ethoxy]methanethione

bis[2-(dimethylamino)ethoxy]methanethione (PubChem CID 88923851) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is bis[2-(dimethylamino)ethoxy]methanethione.

Molecular Properties

Compound Namebis[2-(dimethylamino)ethoxy]methanethione
PubChem CID88923851
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Namebis[2-(dimethylamino)ethoxy]methanethione
SMILESCN(C)CCOC(=S)OCCN(C)C
InChIInChI=1S/C9H20N2O2S/c1-10(2)5-7-12-9(14)13-8-6-11(3)4/h5-8H2,1-4H3
InChIKeyMANCPJCEBNCNOK-UHFFFAOYSA-N
XLogP0.43
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[2-(dimethylamino)ethoxy]methanethione?
The IUPAC name of bis[2-(dimethylamino)ethoxy]methanethione (CID 88923851) is bis[2-(dimethylamino)ethoxy]methanethione.
What is the SMILES notation for bis[2-(dimethylamino)ethoxy]methanethione?
The canonical SMILES for bis[2-(dimethylamino)ethoxy]methanethione is CN(C)CCOC(=S)OCCN(C)C.
What is the InChIKey of bis[2-(dimethylamino)ethoxy]methanethione?
The InChIKey is MANCPJCEBNCNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-10(2)5-7-12-9(14)13-8-6-11(3)4/h5-8H2,1-4H3.
What are the key properties of bis[2-(dimethylamino)ethoxy]methanethione?
bis[2-(dimethylamino)ethoxy]methanethione has a molecular weight of 220.34 g/mol, XLogP of 0.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(dimethylamino)ethoxy]methanethione is sourced from PubChem (CID 88923851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).