4-phenyl-1,3-dihydroimidazole-2-thione

C9H8N2S — CID 1132611

IUPAC4-phenyl-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(-c2ccccc2)[nH]1
InChIInChI=1S/C9H8N2S/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)
InChIKeyISOLPDRTYOTMTO-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.74
Rot. Bonds1

About 4-phenyl-1,3-dihydroimidazole-2-thione

4-phenyl-1,3-dihydroimidazole-2-thione (PubChem CID 1132611) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 4-phenyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-phenyl-1,3-dihydroimidazole-2-thione
PubChem CID1132611
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name4-phenyl-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(-c2ccccc2)[nH]1
InChIInChI=1S/C9H8N2S/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)
InChIKeyISOLPDRTYOTMTO-UHFFFAOYSA-N
XLogP2.74
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-phenyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-phenyl-1,3-dihydroimidazole-2-thione (CID 1132611) is 4-phenyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-phenyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-phenyl-1,3-dihydroimidazole-2-thione is S=c1[nH]cc(-c2ccccc2)[nH]1.
What is the InChIKey of 4-phenyl-1,3-dihydroimidazole-2-thione?
The InChIKey is ISOLPDRTYOTMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12).
What are the key properties of 4-phenyl-1,3-dihydroimidazole-2-thione?
4-phenyl-1,3-dihydroimidazole-2-thione has a molecular weight of 176.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 1132611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).