piperazine-1,4-dicarbothiohydrazide

C6H14N6S2 — CID 3001885

IUPACpiperazine-1,4-dicarbothiohydrazide
SMILESNNC(=S)N1CCN(C(=S)NN)CC1
InChIInChI=1S/C6H14N6S2/c7-9-5(13)11-1-2-12(4-3-11)6(14)10-8/h1-4,7-8H2,(H,9,13)(H,10,14)
InChIKeyGISXBSSCHFURCK-UHFFFAOYSA-N
MW234.35 g/mol
LogP-1.90
Rot. Bonds

About piperazine-1,4-dicarbothiohydrazide

piperazine-1,4-dicarbothiohydrazide (PubChem CID 3001885) has the molecular formula C6H14N6S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is piperazine-1,4-dicarbothiohydrazide.

Molecular Properties

Compound Namepiperazine-1,4-dicarbothiohydrazide
PubChem CID3001885
Molecular FormulaC6H14N6S2
Molecular Weight234.35 g/mol
Exact Mass234.07
IUPAC Namepiperazine-1,4-dicarbothiohydrazide
SMILESNNC(=S)N1CCN(C(=S)NN)CC1
InChIInChI=1S/C6H14N6S2/c7-9-5(13)11-1-2-12(4-3-11)6(14)10-8/h1-4,7-8H2,(H,9,13)(H,10,14)
InChIKeyGISXBSSCHFURCK-UHFFFAOYSA-N
XLogP-1.90
TPSA82.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 piperazine-1,4-dicarbothiohydrazide?
The IUPAC name of piperazine-1,4-dicarbothiohydrazide (CID 3001885) is piperazine-1,4-dicarbothiohydrazide.
What is the SMILES notation for piperazine-1,4-dicarbothiohydrazide?
The canonical SMILES for piperazine-1,4-dicarbothiohydrazide is NNC(=S)N1CCN(C(=S)NN)CC1.
What is the InChIKey of piperazine-1,4-dicarbothiohydrazide?
The InChIKey is GISXBSSCHFURCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N6S2/c7-9-5(13)11-1-2-12(4-3-11)6(14)10-8/h1-4,7-8H2,(H,9,13)(H,10,14).
What are the key properties of piperazine-1,4-dicarbothiohydrazide?
piperazine-1,4-dicarbothiohydrazide has a molecular weight of 234.35 g/mol, XLogP of -1.90, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1,4-dicarbothiohydrazide is sourced from PubChem (CID 3001885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).