propanethiohydrazide

C3H8N2S — CID 19042722

IUPACpropanethiohydrazide
SMILESCCC(=S)NN
InChIInChI=1S/C3H8N2S/c1-2-3(6)5-4/h2,4H2,1H3,(H,5,6)
InChIKeyLCCKLSZBQCWOFX-UHFFFAOYSA-N
MW104.18 g/mol
LogP0.19
Rot. Bonds1

About propanethiohydrazide

propanethiohydrazide (PubChem CID 19042722) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is propanethiohydrazide.

Molecular Properties

Compound Namepropanethiohydrazide
PubChem CID19042722
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC Namepropanethiohydrazide
SMILESCCC(=S)NN
InChIInChI=1S/C3H8N2S/c1-2-3(6)5-4/h2,4H2,1H3,(H,5,6)
InChIKeyLCCKLSZBQCWOFX-UHFFFAOYSA-N
XLogP0.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of propanethiohydrazide?
The IUPAC name of propanethiohydrazide (CID 19042722) is propanethiohydrazide.
What is the SMILES notation for propanethiohydrazide?
The canonical SMILES for propanethiohydrazide is CCC(=S)NN.
What is the InChIKey of propanethiohydrazide?
The InChIKey is LCCKLSZBQCWOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S/c1-2-3(6)5-4/h2,4H2,1H3,(H,5,6).
What are the key properties of propanethiohydrazide?
propanethiohydrazide has a molecular weight of 104.18 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanethiohydrazide is sourced from PubChem (CID 19042722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).