methyl 4-methylpiperazine-1-carbodithioate

C7H14N2S2 — CID 56637123

IUPACmethyl 4-methylpiperazine-1-carbodithioate
SMILESCSC(=S)N1CCN(C)CC1
InChIInChI=1S/C7H14N2S2/c1-8-3-5-9(6-4-8)7(10)11-2/h3-6H2,1-2H3
InChIKeyIMVFRUURAMHQKJ-UHFFFAOYSA-N
MW190.34 g/mol
LogP0.88
Rot. Bonds

About methyl 4-methylpiperazine-1-carbodithioate

methyl 4-methylpiperazine-1-carbodithioate (PubChem CID 56637123) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is methyl 4-methylpiperazine-1-carbodithioate.

Molecular Properties

Compound Namemethyl 4-methylpiperazine-1-carbodithioate
PubChem CID56637123
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC Namemethyl 4-methylpiperazine-1-carbodithioate
SMILESCSC(=S)N1CCN(C)CC1
InChIInChI=1S/C7H14N2S2/c1-8-3-5-9(6-4-8)7(10)11-2/h3-6H2,1-2H3
InChIKeyIMVFRUURAMHQKJ-UHFFFAOYSA-N
XLogP0.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 4-methylpiperazine-1-carbodithioate?
The IUPAC name of methyl 4-methylpiperazine-1-carbodithioate (CID 56637123) is methyl 4-methylpiperazine-1-carbodithioate.
What is the SMILES notation for methyl 4-methylpiperazine-1-carbodithioate?
The canonical SMILES for methyl 4-methylpiperazine-1-carbodithioate is CSC(=S)N1CCN(C)CC1.
What is the InChIKey of methyl 4-methylpiperazine-1-carbodithioate?
The InChIKey is IMVFRUURAMHQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S2/c1-8-3-5-9(6-4-8)7(10)11-2/h3-6H2,1-2H3.
What are the key properties of methyl 4-methylpiperazine-1-carbodithioate?
methyl 4-methylpiperazine-1-carbodithioate has a molecular weight of 190.34 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylpiperazine-1-carbodithioate is sourced from PubChem (CID 56637123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).