piperazine-2-thione

C4H8N2S — CID 18974488

IUPACpiperazine-2-thione
SMILESS=C1CNCCN1
InChIInChI=1S/C4H8N2S/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)
InChIKeyCNMSOWSDPDRHAM-UHFFFAOYSA-N
MW116.19 g/mol
LogP-0.49
Rot. Bonds

About piperazine-2-thione

piperazine-2-thione (PubChem CID 18974488) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is piperazine-2-thione.

Molecular Properties

Compound Namepiperazine-2-thione
PubChem CID18974488
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC Namepiperazine-2-thione
SMILESS=C1CNCCN1
InChIInChI=1S/C4H8N2S/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)
InChIKeyCNMSOWSDPDRHAM-UHFFFAOYSA-N
XLogP-0.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperazine-2-thione?
The IUPAC name of piperazine-2-thione (CID 18974488) is piperazine-2-thione.
What is the SMILES notation for piperazine-2-thione?
The canonical SMILES for piperazine-2-thione is S=C1CNCCN1.
What is the InChIKey of piperazine-2-thione?
The InChIKey is CNMSOWSDPDRHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7).
What are the key properties of piperazine-2-thione?
piperazine-2-thione has a molecular weight of 116.19 g/mol, XLogP of -0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-2-thione is sourced from PubChem (CID 18974488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).