2-hydroxyethyl 4-methylpiperazine-1-carbodithioate

C8H16N2OS2 — CID 10680470

IUPAC2-hydroxyethyl 4-methylpiperazine-1-carbodithioate
SMILESCN1CCN(C(=S)SCCO)CC1
InChIInChI=1S/C8H16N2OS2/c1-9-2-4-10(5-3-9)8(12)13-7-6-11/h11H,2-7H2,1H3
InChIKeyZGAZEPDNRDXXRW-UHFFFAOYSA-N
MW220.36 g/mol
LogP0.24
Rot. Bonds2

About 2-hydroxyethyl 4-methylpiperazine-1-carbodithioate

2-hydroxyethyl 4-methylpiperazine-1-carbodithioate (PubChem CID 10680470) has the molecular formula C8H16N2OS2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-hydroxyethyl 4-methylpiperazine-1-carbodithioate.

Molecular Properties

Compound Name2-hydroxyethyl 4-methylpiperazine-1-carbodithioate
PubChem CID10680470
Molecular FormulaC8H16N2OS2
Molecular Weight220.36 g/mol
Exact Mass220.07
IUPAC Name2-hydroxyethyl 4-methylpiperazine-1-carbodithioate
SMILESCN1CCN(C(=S)SCCO)CC1
InChIInChI=1S/C8H16N2OS2/c1-9-2-4-10(5-3-9)8(12)13-7-6-11/h11H,2-7H2,1H3
InChIKeyZGAZEPDNRDXXRW-UHFFFAOYSA-N
XLogP0.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-hydroxyethyl 4-methylpiperazine-1-carbodithioate?
The IUPAC name of 2-hydroxyethyl 4-methylpiperazine-1-carbodithioate (CID 10680470) is 2-hydroxyethyl 4-methylpiperazine-1-carbodithioate.
What is the SMILES notation for 2-hydroxyethyl 4-methylpiperazine-1-carbodithioate?
The canonical SMILES for 2-hydroxyethyl 4-methylpiperazine-1-carbodithioate is CN1CCN(C(=S)SCCO)CC1.
What is the InChIKey of 2-hydroxyethyl 4-methylpiperazine-1-carbodithioate?
The InChIKey is ZGAZEPDNRDXXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS2/c1-9-2-4-10(5-3-9)8(12)13-7-6-11/h11H,2-7H2,1H3.
What are the key properties of 2-hydroxyethyl 4-methylpiperazine-1-carbodithioate?
2-hydroxyethyl 4-methylpiperazine-1-carbodithioate has a molecular weight of 220.36 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-methylpiperazine-1-carbodithioate is sourced from PubChem (CID 10680470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).