piperazine-2,3-dithione

C4H6N2S2 — CID 88887197

IUPACpiperazine-2,3-dithione
SMILESS=C1NCCNC1=S
InChIInChI=1S/C4H6N2S2/c7-3-4(8)6-2-1-5-3/h1-2H2,(H,5,7)(H,6,8)
InChIKeyYFNOWTICKCXYEC-UHFFFAOYSA-N
MW146.24 g/mol
LogP-0.17
Rot. Bonds

About piperazine-2,3-dithione

piperazine-2,3-dithione (PubChem CID 88887197) has the molecular formula C4H6N2S2 and a molecular weight of 146.24 g/mol. Its IUPAC name is piperazine-2,3-dithione.

Molecular Properties

Compound Namepiperazine-2,3-dithione
PubChem CID88887197
Molecular FormulaC4H6N2S2
Molecular Weight146.24 g/mol
Exact Mass146.00
IUPAC Namepiperazine-2,3-dithione
SMILESS=C1NCCNC1=S
InChIInChI=1S/C4H6N2S2/c7-3-4(8)6-2-1-5-3/h1-2H2,(H,5,7)(H,6,8)
InChIKeyYFNOWTICKCXYEC-UHFFFAOYSA-N
XLogP-0.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 5-0.17
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-2,3-dithione?
The IUPAC name of piperazine-2,3-dithione (CID 88887197) is piperazine-2,3-dithione.
What is the SMILES notation for piperazine-2,3-dithione?
The canonical SMILES for piperazine-2,3-dithione is S=C1NCCNC1=S.
What is the InChIKey of piperazine-2,3-dithione?
The InChIKey is YFNOWTICKCXYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S2/c7-3-4(8)6-2-1-5-3/h1-2H2,(H,5,7)(H,6,8).
What are the key properties of piperazine-2,3-dithione?
piperazine-2,3-dithione has a molecular weight of 146.24 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-2,3-dithione is sourced from PubChem (CID 88887197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).