2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide

C8H18N4O2S — CID 141405409

IUPAC2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide
SMILESCCC(SCCCC(=O)NN)C(=O)NN
InChIInChI=1S/C8H18N4O2S/c1-2-6(8(14)12-10)15-5-3-4-7(13)11-9/h6H,2-5,9-10H2,1H3,(H,11,13)(H,12,14)
InChIKeyHAFOXTGZZGEIBW-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.74
Rot. Bonds7

About 2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide

2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide (PubChem CID 141405409) has the molecular formula C8H18N4O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide
PubChem CID141405409
Molecular FormulaC8H18N4O2S
Molecular Weight234.32 g/mol
Exact Mass234.12
IUPAC Name2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide
SMILESCCC(SCCCC(=O)NN)C(=O)NN
InChIInChI=1S/C8H18N4O2S/c1-2-6(8(14)12-10)15-5-3-4-7(13)11-9/h6H,2-5,9-10H2,1H3,(H,11,13)(H,12,14)
InChIKeyHAFOXTGZZGEIBW-UHFFFAOYSA-N
XLogP-0.74
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide?
The IUPAC name of 2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide (CID 141405409) is 2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide.
What is the SMILES notation for 2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide?
The canonical SMILES for 2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide is CCC(SCCCC(=O)NN)C(=O)NN.
What is the InChIKey of 2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide?
The InChIKey is HAFOXTGZZGEIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S/c1-2-6(8(14)12-10)15-5-3-4-7(13)11-9/h6H,2-5,9-10H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide?
2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide has a molecular weight of 234.32 g/mol, XLogP of -0.74, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydrazinyl-4-oxobutyl)sulfanylbutanehydrazide is sourced from PubChem (CID 141405409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).