3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione

C10H8Cl2N2S — CID 81339321

IUPAC3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H8Cl2N2S/c1-6-5-13-10(15)14(6)8-4-2-3-7(11)9(8)12/h2-5H,1H3,(H,13,15)
InChIKeyWZTKQIOZQAOBJP-UHFFFAOYSA-N
MW259.16 g/mol
LogP4.15
Rot. Bonds1

About 3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione

3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione (PubChem CID 81339321) has the molecular formula C10H8Cl2N2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione
PubChem CID81339321
Molecular FormulaC10H8Cl2N2S
Molecular Weight259.16 g/mol
Exact Mass257.98
IUPAC Name3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H8Cl2N2S/c1-6-5-13-10(15)14(6)8-4-2-3-7(11)9(8)12/h2-5H,1H3,(H,13,15)
InChIKeyWZTKQIOZQAOBJP-UHFFFAOYSA-N
XLogP4.15
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 54.15
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-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione (CID 81339321) is 3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione is Cc1c[nH]c(=S)n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione?
The InChIKey is WZTKQIOZQAOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S/c1-6-5-13-10(15)14(6)8-4-2-3-7(11)9(8)12/h2-5H,1H3,(H,13,15).
What are the key properties of 3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione?
3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione has a molecular weight of 259.16 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 81339321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).