1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione

C5H10N2OS — CID 71749041

IUPAC1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione
SMILES[2H]C([2H])(O)C([2H])([2H])N1CCNC1=S
InChIInChI=1S/C5H10N2OS/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)/i3D2,4D2
InChIKeyAFEITPOSEVENMK-KHORGVISSA-N
MW150.24 g/mol
LogP-0.83
Rot. Bonds2

About 1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione

1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione (PubChem CID 71749041) has the molecular formula C5H10N2OS and a molecular weight of 150.24 g/mol. Its IUPAC name is 1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione
PubChem CID71749041
Molecular FormulaC5H10N2OS
Molecular Weight150.24 g/mol
Exact Mass150.08
IUPAC Name1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione
SMILES[2H]C([2H])(O)C([2H])([2H])N1CCNC1=S
InChIInChI=1S/C5H10N2OS/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)/i3D2,4D2
InChIKeyAFEITPOSEVENMK-KHORGVISSA-N
XLogP-0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
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-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione?
The IUPAC name of 1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione (CID 71749041) is 1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione.
What is the SMILES notation for 1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione?
The canonical SMILES for 1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione is [2H]C([2H])(O)C([2H])([2H])N1CCNC1=S.
What is the InChIKey of 1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione?
The InChIKey is AFEITPOSEVENMK-KHORGVISSA-N. The full InChI is InChI=1S/C5H10N2OS/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)/i3D2,4D2.
What are the key properties of 1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione?
1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione has a molecular weight of 150.24 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetradeuterio-2-hydroxyethyl)imidazolidine-2-thione is sourced from PubChem (CID 71749041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).