1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine

C6H14N2O2S — CID 83381389

IUPAC1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine
SMILESCCNNC1CCS(=O)(=O)C1
InChIInChI=1S/C6H14N2O2S/c1-2-7-8-6-3-4-11(9,10)5-6/h6-8H,2-5H2,1H3
InChIKeyQZKGJMLBOFCPAO-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.71
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine

1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine (PubChem CID 83381389) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine
PubChem CID83381389
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine
SMILESCCNNC1CCS(=O)(=O)C1
InChIInChI=1S/C6H14N2O2S/c1-2-7-8-6-3-4-11(9,10)5-6/h6-8H,2-5H2,1H3
InChIKeyQZKGJMLBOFCPAO-UHFFFAOYSA-N
XLogP-0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine (CID 83381389) is 1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine is CCNNC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine?
The InChIKey is QZKGJMLBOFCPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-2-7-8-6-3-4-11(9,10)5-6/h6-8H,2-5H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine?
1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine has a molecular weight of 178.26 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-2-ethylhydrazine is sourced from PubChem (CID 83381389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).