2-propylsulfanylacetohydrazide

C5H12N2OS — CID 23162553

IUPAC2-propylsulfanylacetohydrazide
SMILESCCCSCC(=O)NN
InChIInChI=1S/C5H12N2OS/c1-2-3-9-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyUFSXLXWNXDUNSC-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.12
Rot. Bonds4

About 2-propylsulfanylacetohydrazide

2-propylsulfanylacetohydrazide (PubChem CID 23162553) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-propylsulfanylacetohydrazide.

Molecular Properties

Compound Name2-propylsulfanylacetohydrazide
PubChem CID23162553
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name2-propylsulfanylacetohydrazide
SMILESCCCSCC(=O)NN
InChIInChI=1S/C5H12N2OS/c1-2-3-9-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyUFSXLXWNXDUNSC-UHFFFAOYSA-N
XLogP0.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-propylsulfanylacetohydrazide?
The IUPAC name of 2-propylsulfanylacetohydrazide (CID 23162553) is 2-propylsulfanylacetohydrazide.
What is the SMILES notation for 2-propylsulfanylacetohydrazide?
The canonical SMILES for 2-propylsulfanylacetohydrazide is CCCSCC(=O)NN.
What is the InChIKey of 2-propylsulfanylacetohydrazide?
The InChIKey is UFSXLXWNXDUNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-2-3-9-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8).
What are the key properties of 2-propylsulfanylacetohydrazide?
2-propylsulfanylacetohydrazide has a molecular weight of 148.23 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanylacetohydrazide is sourced from PubChem (CID 23162553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).