2-[butyl(propyl)amino]ethanethiohydrazide

C9H21N3S — CID 91220365

IUPAC2-[butyl(propyl)amino]ethanethiohydrazide
SMILESCCCCN(CCC)CC(=S)NN
InChIInChI=1S/C9H21N3S/c1-3-5-7-12(6-4-2)8-9(13)11-10/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyDYUVCPXMDJIEIX-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.29
Rot. Bonds7

About 2-[butyl(propyl)amino]ethanethiohydrazide

2-[butyl(propyl)amino]ethanethiohydrazide (PubChem CID 91220365) has the molecular formula C9H21N3S and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-[butyl(propyl)amino]ethanethiohydrazide.

Molecular Properties

Compound Name2-[butyl(propyl)amino]ethanethiohydrazide
PubChem CID91220365
Molecular FormulaC9H21N3S
Molecular Weight203.35 g/mol
Exact Mass203.15
IUPAC Name2-[butyl(propyl)amino]ethanethiohydrazide
SMILESCCCCN(CCC)CC(=S)NN
InChIInChI=1S/C9H21N3S/c1-3-5-7-12(6-4-2)8-9(13)11-10/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyDYUVCPXMDJIEIX-UHFFFAOYSA-N
XLogP1.29
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[butyl(propyl)amino]ethanethiohydrazide 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-[butyl(propyl)amino]ethanethiohydrazide?
The IUPAC name of 2-[butyl(propyl)amino]ethanethiohydrazide (CID 91220365) is 2-[butyl(propyl)amino]ethanethiohydrazide.
What is the SMILES notation for 2-[butyl(propyl)amino]ethanethiohydrazide?
The canonical SMILES for 2-[butyl(propyl)amino]ethanethiohydrazide is CCCCN(CCC)CC(=S)NN.
What is the InChIKey of 2-[butyl(propyl)amino]ethanethiohydrazide?
The InChIKey is DYUVCPXMDJIEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3S/c1-3-5-7-12(6-4-2)8-9(13)11-10/h3-8,10H2,1-2H3,(H,11,13).
What are the key properties of 2-[butyl(propyl)amino]ethanethiohydrazide?
2-[butyl(propyl)amino]ethanethiohydrazide has a molecular weight of 203.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(propyl)amino]ethanethiohydrazide is sourced from PubChem (CID 91220365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).