1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine

C8H16N2O2S — CID 105258935

IUPAC1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine
SMILESC=CCC(NN)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H16N2O2S/c1-2-3-8(10-9)7-4-5-13(11,12)6-7/h2,7-8,10H,1,3-6,9H2
InChIKeyDOCDUIVBCZOLNS-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.17
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine

1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine (PubChem CID 105258935) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine
PubChem CID105258935
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine
SMILESC=CCC(NN)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H16N2O2S/c1-2-3-8(10-9)7-4-5-13(11,12)6-7/h2,7-8,10H,1,3-6,9H2
InChIKeyDOCDUIVBCZOLNS-UHFFFAOYSA-N
XLogP-0.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine (CID 105258935) is 1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine is C=CCC(NN)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine?
The InChIKey is DOCDUIVBCZOLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-3-8(10-9)7-4-5-13(11,12)6-7/h2,7-8,10H,1,3-6,9H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine?
1-(1,1-dioxothiolan-3-yl)but-3-enylhydrazine has a molecular weight of 204.29 g/mol, XLogP of -0.17, 4 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)but-3-enylhydrazine is sourced from PubChem (CID 105258935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).