2-butylsulfanylacetohydrazide

C6H14N2OS — CID 15567902

IUPAC2-butylsulfanylacetohydrazide
SMILESCCCCSCC(=O)NN
InChIInChI=1S/C6H14N2OS/c1-2-3-4-10-5-6(9)8-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyOXGWCYHGTFKMLY-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.51
Rot. Bonds5

About 2-butylsulfanylacetohydrazide

2-butylsulfanylacetohydrazide (PubChem CID 15567902) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-butylsulfanylacetohydrazide.

Molecular Properties

Compound Name2-butylsulfanylacetohydrazide
PubChem CID15567902
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name2-butylsulfanylacetohydrazide
SMILESCCCCSCC(=O)NN
InChIInChI=1S/C6H14N2OS/c1-2-3-4-10-5-6(9)8-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyOXGWCYHGTFKMLY-UHFFFAOYSA-N
XLogP0.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.51
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'}

Analyze 2-butylsulfanylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanylacetohydrazide?
The IUPAC name of 2-butylsulfanylacetohydrazide (CID 15567902) is 2-butylsulfanylacetohydrazide.
What is the SMILES notation for 2-butylsulfanylacetohydrazide?
The canonical SMILES for 2-butylsulfanylacetohydrazide is CCCCSCC(=O)NN.
What is the InChIKey of 2-butylsulfanylacetohydrazide?
The InChIKey is OXGWCYHGTFKMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-2-3-4-10-5-6(9)8-7/h2-5,7H2,1H3,(H,8,9).
What are the key properties of 2-butylsulfanylacetohydrazide?
2-butylsulfanylacetohydrazide has a molecular weight of 162.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanylacetohydrazide is sourced from PubChem (CID 15567902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).