4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione

C13H10N2OS — CID 57168685

IUPAC4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione
SMILESOc1c[nH]c(=S)n1-c1cccc2ccccc12
InChIInChI=1S/C13H10N2OS/c16-12-8-14-13(17)15(12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,16H,(H,14,17)
InChIKeyUAHATAUGNGIGAU-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.39
Rot. Bonds1

About 4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione

4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione (PubChem CID 57168685) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione
PubChem CID57168685
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione
SMILESOc1c[nH]c(=S)n1-c1cccc2ccccc12
InChIInChI=1S/C13H10N2OS/c16-12-8-14-13(17)15(12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,16H,(H,14,17)
InChIKeyUAHATAUGNGIGAU-UHFFFAOYSA-N
XLogP3.39
TPSA40.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.39
H-Bond Donors ≤ 52
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 4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione?
The IUPAC name of 4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione (CID 57168685) is 4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione.
What is the SMILES notation for 4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione?
The canonical SMILES for 4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione is Oc1c[nH]c(=S)n1-c1cccc2ccccc12.
What is the InChIKey of 4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione?
The InChIKey is UAHATAUGNGIGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-12-8-14-13(17)15(12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,16H,(H,14,17).
What are the key properties of 4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione?
4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione has a molecular weight of 242.30 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione is sourced from PubChem (CID 57168685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).