1-methylpiperazine-2,5-dithione

C5H8N2S2 — CID 45088649

IUPAC1-methylpiperazine-2,5-dithione
SMILESCN1CC(=S)NCC1=S
InChIInChI=1S/C5H8N2S2/c1-7-3-4(8)6-2-5(7)9/h2-3H2,1H3,(H,6,8)
InChIKeyFDZWMYJTOZCXPO-UHFFFAOYSA-N
MW160.27 g/mol
LogP0.18
Rot. Bonds

About 1-methylpiperazine-2,5-dithione

1-methylpiperazine-2,5-dithione (PubChem CID 45088649) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 1-methylpiperazine-2,5-dithione.

Molecular Properties

Compound Name1-methylpiperazine-2,5-dithione
PubChem CID45088649
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name1-methylpiperazine-2,5-dithione
SMILESCN1CC(=S)NCC1=S
InChIInChI=1S/C5H8N2S2/c1-7-3-4(8)6-2-5(7)9/h2-3H2,1H3,(H,6,8)
InChIKeyFDZWMYJTOZCXPO-UHFFFAOYSA-N
XLogP0.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 50.18
H-Bond Donors ≤ 51
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 1-methylpiperazine-2,5-dithione?
The IUPAC name of 1-methylpiperazine-2,5-dithione (CID 45088649) is 1-methylpiperazine-2,5-dithione.
What is the SMILES notation for 1-methylpiperazine-2,5-dithione?
The canonical SMILES for 1-methylpiperazine-2,5-dithione is CN1CC(=S)NCC1=S.
What is the InChIKey of 1-methylpiperazine-2,5-dithione?
The InChIKey is FDZWMYJTOZCXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-7-3-4(8)6-2-5(7)9/h2-3H2,1H3,(H,6,8).
What are the key properties of 1-methylpiperazine-2,5-dithione?
1-methylpiperazine-2,5-dithione has a molecular weight of 160.27 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine-2,5-dithione is sourced from PubChem (CID 45088649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).