3-(2-hydroxyethyl)-4H-imidazole-5-thione

C5H8N2OS — CID 19785378

IUPAC3-(2-hydroxyethyl)-4H-imidazole-5-thione
SMILESOCCN1C=NC(=S)C1
InChIInChI=1S/C5H8N2OS/c8-2-1-7-3-5(9)6-4-7/h4,8H,1-3H2
InChIKeyYAOXGTJKXPDCAL-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.35
Rot. Bonds2

About 3-(2-hydroxyethyl)-4H-imidazole-5-thione

3-(2-hydroxyethyl)-4H-imidazole-5-thione (PubChem CID 19785378) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4H-imidazole-5-thione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4H-imidazole-5-thione
PubChem CID19785378
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name3-(2-hydroxyethyl)-4H-imidazole-5-thione
SMILESOCCN1C=NC(=S)C1
InChIInChI=1S/C5H8N2OS/c8-2-1-7-3-5(9)6-4-7/h4,8H,1-3H2
InChIKeyYAOXGTJKXPDCAL-UHFFFAOYSA-N
XLogP-0.35
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
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 3-(2-hydroxyethyl)-4H-imidazole-5-thione?
The IUPAC name of 3-(2-hydroxyethyl)-4H-imidazole-5-thione (CID 19785378) is 3-(2-hydroxyethyl)-4H-imidazole-5-thione.
What is the SMILES notation for 3-(2-hydroxyethyl)-4H-imidazole-5-thione?
The canonical SMILES for 3-(2-hydroxyethyl)-4H-imidazole-5-thione is OCCN1C=NC(=S)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-4H-imidazole-5-thione?
The InChIKey is YAOXGTJKXPDCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c8-2-1-7-3-5(9)6-4-7/h4,8H,1-3H2.
What are the key properties of 3-(2-hydroxyethyl)-4H-imidazole-5-thione?
3-(2-hydroxyethyl)-4H-imidazole-5-thione has a molecular weight of 144.20 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4H-imidazole-5-thione is sourced from PubChem (CID 19785378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).