methanedithione;piperazine

C5H10N2S2 — CID 87395323

IUPACmethanedithione;piperazine
SMILESC1CNCCN1.S=C=S
InChIInChI=1S/C4H10N2.CS2/c1-2-6-4-3-5-1;2-1-3/h5-6H,1-4H2;
InChIKeyUNEWAQHEMOSIPF-UHFFFAOYSA-N
MW162.28 g/mol
LogP0.20
Rot. Bonds

About methanedithione;piperazine

methanedithione;piperazine (PubChem CID 87395323) has the molecular formula C5H10N2S2 and a molecular weight of 162.28 g/mol. Its IUPAC name is methanedithione;piperazine.

Molecular Properties

Compound Namemethanedithione;piperazine
PubChem CID87395323
Molecular FormulaC5H10N2S2
Molecular Weight162.28 g/mol
Exact Mass162.03
IUPAC Namemethanedithione;piperazine
SMILESC1CNCCN1.S=C=S
InChIInChI=1S/C4H10N2.CS2/c1-2-6-4-3-5-1;2-1-3/h5-6H,1-4H2;
InChIKeyUNEWAQHEMOSIPF-UHFFFAOYSA-N
XLogP0.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Piperazine
CID 4837
1-Piperazinecarbodithioic acid
CID 66829
2,5-Piperazinedithione
CID 3004056
Carbamic acid, (2-(1-piperazinyl)ethyl)dithio-
CID 3032930
Piperazin-4-ium-1-carbodithioate
CID 71677620
Piperazine dithiocarbamate
CID 3037039
Piperazinium(2+)
CID 4057011
Piperazin-1-ium
CID 5242433
Thiopiperazine
CID 18533336
Piperazine-2-thione
CID 18974488
Piperazinyl dithiocarbamate
CID 22764377
2,3-Piperazinedithione
CID 88887197

Frequently Asked Questions

What is the IUPAC name of methanedithione;piperazine?
The IUPAC name of methanedithione;piperazine (CID 87395323) is methanedithione;piperazine.
What is the SMILES notation for methanedithione;piperazine?
The canonical SMILES for methanedithione;piperazine is C1CNCCN1.S=C=S.
What is the InChIKey of methanedithione;piperazine?
The InChIKey is UNEWAQHEMOSIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.CS2/c1-2-6-4-3-5-1;2-1-3/h5-6H,1-4H2;.
What are the key properties of methanedithione;piperazine?
methanedithione;piperazine has a molecular weight of 162.28 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanedithione;piperazine is sourced from PubChem (CID 87395323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).