pentanethiohydrazide

C5H12N2S — CID 58390990

IUPACpentanethiohydrazide
SMILESCCCCC(=S)NN
InChIInChI=1S/C5H12N2S/c1-2-3-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyAEGMPRZRSIEOFS-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.97
Rot. Bonds3

About pentanethiohydrazide

pentanethiohydrazide (PubChem CID 58390990) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is pentanethiohydrazide.

Molecular Properties

Compound Namepentanethiohydrazide
PubChem CID58390990
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Namepentanethiohydrazide
SMILESCCCCC(=S)NN
InChIInChI=1S/C5H12N2S/c1-2-3-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyAEGMPRZRSIEOFS-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.97
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 pentanethiohydrazide?
The IUPAC name of pentanethiohydrazide (CID 58390990) is pentanethiohydrazide.
What is the SMILES notation for pentanethiohydrazide?
The canonical SMILES for pentanethiohydrazide is CCCCC(=S)NN.
What is the InChIKey of pentanethiohydrazide?
The InChIKey is AEGMPRZRSIEOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-2-3-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8).
What are the key properties of pentanethiohydrazide?
pentanethiohydrazide has a molecular weight of 132.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentanethiohydrazide is sourced from PubChem (CID 58390990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).