1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium

C6H11N2O2S+ — CID 135542442

IUPAC1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium
SMILESCCOC(=O)C([N+]#N)=S(C)C
InChIInChI=1S/C6H11N2O2S/c1-4-10-6(9)5(8-7)11(2)3/h4H2,1-3H3/q+1
InChIKeyRCMDHBZLWDLAGE-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.06
Rot. Bonds1

About 1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium

1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium (PubChem CID 135542442) has the molecular formula C6H11N2O2S+ and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium.

Molecular Properties

Compound Name1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium
PubChem CID135542442
Molecular FormulaC6H11N2O2S+
Molecular Weight175.23 g/mol
Exact Mass175.05
IUPAC Name1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium
SMILESCCOC(=O)C([N+]#N)=S(C)C
InChIInChI=1S/C6H11N2O2S/c1-4-10-6(9)5(8-7)11(2)3/h4H2,1-3H3/q+1
InChIKeyRCMDHBZLWDLAGE-UHFFFAOYSA-N
XLogP1.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium?
The IUPAC name of 1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium (CID 135542442) is 1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium.
What is the SMILES notation for 1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium?
The canonical SMILES for 1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium is CCOC(=O)C([N+]#N)=S(C)C.
What is the InChIKey of 1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium?
The InChIKey is RCMDHBZLWDLAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O2S/c1-4-10-6(9)5(8-7)11(2)3/h4H2,1-3H3/q+1.
What are the key properties of 1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium?
1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium has a molecular weight of 175.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethyl-λ4-sulfanylidene)-2-ethoxy-2-oxoethanediazonium is sourced from PubChem (CID 135542442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).