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

C6H14N2O2S — CID 84656676

IUPAC2-(1,1-dioxothiolan-2-yl)ethylhydrazine
SMILESNNCCC1CCCS1(=O)=O
InChIInChI=1S/C6H14N2O2S/c7-8-4-3-6-2-1-5-11(6,9)10/h6,8H,1-5,7H2
InChIKeyNXSUASJJGJDOTD-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.58
Rot. Bonds3

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

2-(1,1-dioxothiolan-2-yl)ethylhydrazine (PubChem CID 84656676) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-2-yl)ethylhydrazine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-2-yl)ethylhydrazine
PubChem CID84656676
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-(1,1-dioxothiolan-2-yl)ethylhydrazine
SMILESNNCCC1CCCS1(=O)=O
InChIInChI=1S/C6H14N2O2S/c7-8-4-3-6-2-1-5-11(6,9)10/h6,8H,1-5,7H2
InChIKeyNXSUASJJGJDOTD-UHFFFAOYSA-N
XLogP-0.58
TPSA72.19 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 ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-2-yl)ethylhydrazine?
The IUPAC name of 2-(1,1-dioxothiolan-2-yl)ethylhydrazine (CID 84656676) is 2-(1,1-dioxothiolan-2-yl)ethylhydrazine.
What is the SMILES notation for 2-(1,1-dioxothiolan-2-yl)ethylhydrazine?
The canonical SMILES for 2-(1,1-dioxothiolan-2-yl)ethylhydrazine is NNCCC1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxothiolan-2-yl)ethylhydrazine?
The InChIKey is NXSUASJJGJDOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c7-8-4-3-6-2-1-5-11(6,9)10/h6,8H,1-5,7H2.
What are the key properties of 2-(1,1-dioxothiolan-2-yl)ethylhydrazine?
2-(1,1-dioxothiolan-2-yl)ethylhydrazine has a molecular weight of 178.26 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-2-yl)ethylhydrazine is sourced from PubChem (CID 84656676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).