1-hydroxy-3-methyl-4-phenylimidazole-2-thione

C10H10N2OS — CID 24784482

IUPAC1-hydroxy-3-methyl-4-phenylimidazole-2-thione
SMILESCn1c(-c2ccccc2)cn(O)c1=S
InChIInChI=1S/C10H10N2OS/c1-11-9(7-12(13)10(11)14)8-5-3-2-4-6-8/h2-7,13H,1H3
InChIKeyWXFMOOQNUYXDSC-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.46
Rot. Bonds1

About 1-hydroxy-3-methyl-4-phenylimidazole-2-thione

1-hydroxy-3-methyl-4-phenylimidazole-2-thione (PubChem CID 24784482) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-4-phenylimidazole-2-thione.

Molecular Properties

Compound Name1-hydroxy-3-methyl-4-phenylimidazole-2-thione
PubChem CID24784482
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name1-hydroxy-3-methyl-4-phenylimidazole-2-thione
SMILESCn1c(-c2ccccc2)cn(O)c1=S
InChIInChI=1S/C10H10N2OS/c1-11-9(7-12(13)10(11)14)8-5-3-2-4-6-8/h2-7,13H,1H3
InChIKeyWXFMOOQNUYXDSC-UHFFFAOYSA-N
XLogP2.46
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-4-phenylimidazole-2-thione?
The IUPAC name of 1-hydroxy-3-methyl-4-phenylimidazole-2-thione (CID 24784482) is 1-hydroxy-3-methyl-4-phenylimidazole-2-thione.
What is the SMILES notation for 1-hydroxy-3-methyl-4-phenylimidazole-2-thione?
The canonical SMILES for 1-hydroxy-3-methyl-4-phenylimidazole-2-thione is Cn1c(-c2ccccc2)cn(O)c1=S.
What is the InChIKey of 1-hydroxy-3-methyl-4-phenylimidazole-2-thione?
The InChIKey is WXFMOOQNUYXDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-11-9(7-12(13)10(11)14)8-5-3-2-4-6-8/h2-7,13H,1H3.
What are the key properties of 1-hydroxy-3-methyl-4-phenylimidazole-2-thione?
1-hydroxy-3-methyl-4-phenylimidazole-2-thione has a molecular weight of 206.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-4-phenylimidazole-2-thione is sourced from PubChem (CID 24784482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).