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

C5H12N2O2S — CID 84651960

IUPAC2-(1,1-dioxothietan-2-yl)ethylhydrazine
SMILESNNCCC1CCS1(=O)=O
InChIInChI=1S/C5H12N2O2S/c6-7-3-1-5-2-4-10(5,8)9/h5,7H,1-4,6H2
InChIKeyJEBPNOUAZSBJRT-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.97
Rot. Bonds3

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

2-(1,1-dioxothietan-2-yl)ethylhydrazine (PubChem CID 84651960) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-(1,1-dioxothietan-2-yl)ethylhydrazine.

Molecular Properties

Compound Name2-(1,1-dioxothietan-2-yl)ethylhydrazine
PubChem CID84651960
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name2-(1,1-dioxothietan-2-yl)ethylhydrazine
SMILESNNCCC1CCS1(=O)=O
InChIInChI=1S/C5H12N2O2S/c6-7-3-1-5-2-4-10(5,8)9/h5,7H,1-4,6H2
InChIKeyJEBPNOUAZSBJRT-UHFFFAOYSA-N
XLogP-0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.97
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-dioxothietan-2-yl)ethylhydrazine?
The IUPAC name of 2-(1,1-dioxothietan-2-yl)ethylhydrazine (CID 84651960) is 2-(1,1-dioxothietan-2-yl)ethylhydrazine.
What is the SMILES notation for 2-(1,1-dioxothietan-2-yl)ethylhydrazine?
The canonical SMILES for 2-(1,1-dioxothietan-2-yl)ethylhydrazine is NNCCC1CCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxothietan-2-yl)ethylhydrazine?
The InChIKey is JEBPNOUAZSBJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c6-7-3-1-5-2-4-10(5,8)9/h5,7H,1-4,6H2.
What are the key properties of 2-(1,1-dioxothietan-2-yl)ethylhydrazine?
2-(1,1-dioxothietan-2-yl)ethylhydrazine has a molecular weight of 164.23 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothietan-2-yl)ethylhydrazine is sourced from PubChem (CID 84651960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).