3-methyl-4-phenyl-1H-imidazole-2-thione

C10H10N2S — CID 716690

IUPAC3-methyl-4-phenyl-1H-imidazole-2-thione
SMILESCn1c(-c2ccccc2)c[nH]c1=S
InChIInChI=1S/C10H10N2S/c1-12-9(7-11-10(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,13)
InChIKeyXGMUOBZHQAVQNX-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.75
Rot. Bonds1

About 3-methyl-4-phenyl-1H-imidazole-2-thione

3-methyl-4-phenyl-1H-imidazole-2-thione (PubChem CID 716690) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-methyl-4-phenyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-methyl-4-phenyl-1H-imidazole-2-thione
PubChem CID716690
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name3-methyl-4-phenyl-1H-imidazole-2-thione
SMILESCn1c(-c2ccccc2)c[nH]c1=S
InChIInChI=1S/C10H10N2S/c1-12-9(7-11-10(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,13)
InChIKeyXGMUOBZHQAVQNX-UHFFFAOYSA-N
XLogP2.75
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
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 3-methyl-4-phenyl-1H-imidazole-2-thione?
The IUPAC name of 3-methyl-4-phenyl-1H-imidazole-2-thione (CID 716690) is 3-methyl-4-phenyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-methyl-4-phenyl-1H-imidazole-2-thione?
The canonical SMILES for 3-methyl-4-phenyl-1H-imidazole-2-thione is Cn1c(-c2ccccc2)c[nH]c1=S.
What is the InChIKey of 3-methyl-4-phenyl-1H-imidazole-2-thione?
The InChIKey is XGMUOBZHQAVQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-12-9(7-11-10(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,13).
What are the key properties of 3-methyl-4-phenyl-1H-imidazole-2-thione?
3-methyl-4-phenyl-1H-imidazole-2-thione has a molecular weight of 190.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-1H-imidazole-2-thione is sourced from PubChem (CID 716690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).