2-propylsulfinylacetohydrazide

C5H12N2O2S — CID 23162556

IUPAC2-propylsulfinylacetohydrazide
SMILESCCCS(=O)CC(=O)NN
InChIInChI=1S/C5H12N2O2S/c1-2-3-10(9)4-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyKMXMQWQLRFVOLL-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.87
Rot. Bonds4

About 2-propylsulfinylacetohydrazide

2-propylsulfinylacetohydrazide (PubChem CID 23162556) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-propylsulfinylacetohydrazide.

Molecular Properties

Compound Name2-propylsulfinylacetohydrazide
PubChem CID23162556
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name2-propylsulfinylacetohydrazide
SMILESCCCS(=O)CC(=O)NN
InChIInChI=1S/C5H12N2O2S/c1-2-3-10(9)4-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyKMXMQWQLRFVOLL-UHFFFAOYSA-N
XLogP-0.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-propylsulfinylacetohydrazide?
The IUPAC name of 2-propylsulfinylacetohydrazide (CID 23162556) is 2-propylsulfinylacetohydrazide.
What is the SMILES notation for 2-propylsulfinylacetohydrazide?
The canonical SMILES for 2-propylsulfinylacetohydrazide is CCCS(=O)CC(=O)NN.
What is the InChIKey of 2-propylsulfinylacetohydrazide?
The InChIKey is KMXMQWQLRFVOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-2-3-10(9)4-5(8)7-6/h2-4,6H2,1H3,(H,7,8).
What are the key properties of 2-propylsulfinylacetohydrazide?
2-propylsulfinylacetohydrazide has a molecular weight of 164.23 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfinylacetohydrazide is sourced from PubChem (CID 23162556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).