3-(4-methylphenyl)-1H-imidazole-2-thione;zinc

C10H10N2SZn — CID 174450728

IUPAC3-(4-methylphenyl)-1H-imidazole-2-thione;zinc
SMILESCc1ccc(-n2cc[nH]c2=S)cc1.[Zn]
InChIInChI=1S/C10H10N2S.Zn/c1-8-2-4-9(5-3-8)12-7-6-11-10(12)13;/h2-7H,1H3,(H,11,13);
InChIKeyWMBPHEQRDDHXSW-UHFFFAOYSA-N
MW255.66 g/mol
LogP2.84
Rot. Bonds1

About 3-(4-methylphenyl)-1H-imidazole-2-thione;zinc

3-(4-methylphenyl)-1H-imidazole-2-thione;zinc (PubChem CID 174450728) has the molecular formula C10H10N2SZn and a molecular weight of 255.66 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1H-imidazole-2-thione;zinc.

Molecular Properties

Compound Name3-(4-methylphenyl)-1H-imidazole-2-thione;zinc
PubChem CID174450728
Molecular FormulaC10H10N2SZn
Molecular Weight255.66 g/mol
Exact Mass253.99
IUPAC Name3-(4-methylphenyl)-1H-imidazole-2-thione;zinc
SMILESCc1ccc(-n2cc[nH]c2=S)cc1.[Zn]
InChIInChI=1S/C10H10N2S.Zn/c1-8-2-4-9(5-3-8)12-7-6-11-10(12)13;/h2-7H,1H3,(H,11,13);
InChIKeyWMBPHEQRDDHXSW-UHFFFAOYSA-N
XLogP2.84
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-phosphanylphenyl)-1H-imidazole-2-thione
CID 144612494
3-(4-methylphenyl)-1H-imidazol-2-one
CID 14927424
3-(4-nitrophenyl)-1H-imidazole-2-thione
CID 2760201
3-(4-bromo-3-methoxyphenyl)-1H-imidazole-2-thione
CID 82859389
3-[4-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 14099428
3-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazole-2-thione
CID 139176798
3-[4-(1,2-dihydroxy-3-sulfanylpropyl)phenyl]-1H-imidazole-2-thione
CID 170820691
3-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-2-thione
CID 62902681
3-(3-fluorophenyl)-1H-imidazole-2-thione
CID 2737474
3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-imidazole-2-thione
CID 66475849
N-heptyl-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide
CID 18629794
N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide
CID 51120346

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1H-imidazole-2-thione;zinc?
The IUPAC name of 3-(4-methylphenyl)-1H-imidazole-2-thione;zinc (CID 174450728) is 3-(4-methylphenyl)-1H-imidazole-2-thione;zinc.
What is the SMILES notation for 3-(4-methylphenyl)-1H-imidazole-2-thione;zinc?
The canonical SMILES for 3-(4-methylphenyl)-1H-imidazole-2-thione;zinc is Cc1ccc(-n2cc[nH]c2=S)cc1.[Zn].
What is the InChIKey of 3-(4-methylphenyl)-1H-imidazole-2-thione;zinc?
The InChIKey is WMBPHEQRDDHXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S.Zn/c1-8-2-4-9(5-3-8)12-7-6-11-10(12)13;/h2-7H,1H3,(H,11,13);.
What are the key properties of 3-(4-methylphenyl)-1H-imidazole-2-thione;zinc?
3-(4-methylphenyl)-1H-imidazole-2-thione;zinc has a molecular weight of 255.66 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1H-imidazole-2-thione;zinc is sourced from PubChem (CID 174450728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).