1H-imidazole;2-methylbenzenethiol;zinc

C10H12N2SZn — CID 70348825

IUPAC1H-imidazole;2-methylbenzenethiol;zinc
SMILESCc1ccccc1S.[Zn].c1c[nH]cn1
InChIInChI=1S/C7H8S.C3H4N2.Zn/c1-6-4-2-3-5-7(6)8;1-2-5-3-4-1;/h2-5,8H,1H3;1-3H,(H,4,5);
InChIKeyLWKKCFMBNCPECD-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.69
Rot. Bonds

About 1H-imidazole;2-methylbenzenethiol;zinc

1H-imidazole;2-methylbenzenethiol;zinc (PubChem CID 70348825) has the molecular formula C10H12N2SZn and a molecular weight of 257.68 g/mol. Its IUPAC name is 1H-imidazole;2-methylbenzenethiol;zinc.

Molecular Properties

Compound Name1H-imidazole;2-methylbenzenethiol;zinc
PubChem CID70348825
Molecular FormulaC10H12N2SZn
Molecular Weight257.68 g/mol
Exact Mass256.00
IUPAC Name1H-imidazole;2-methylbenzenethiol;zinc
SMILESCc1ccccc1S.[Zn].c1c[nH]cn1
InChIInChI=1S/C7H8S.C3H4N2.Zn/c1-6-4-2-3-5-7(6)8;1-2-5-3-4-1;/h2-5,8H,1H3;1-3H,(H,4,5);
InChIKeyLWKKCFMBNCPECD-UHFFFAOYSA-N
XLogP2.69
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;2-methylbenzenethiol;zinc?
The IUPAC name of 1H-imidazole;2-methylbenzenethiol;zinc (CID 70348825) is 1H-imidazole;2-methylbenzenethiol;zinc.
What is the SMILES notation for 1H-imidazole;2-methylbenzenethiol;zinc?
The canonical SMILES for 1H-imidazole;2-methylbenzenethiol;zinc is Cc1ccccc1S.[Zn].c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;2-methylbenzenethiol;zinc?
The InChIKey is LWKKCFMBNCPECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S.C3H4N2.Zn/c1-6-4-2-3-5-7(6)8;1-2-5-3-4-1;/h2-5,8H,1H3;1-3H,(H,4,5);.
What are the key properties of 1H-imidazole;2-methylbenzenethiol;zinc?
1H-imidazole;2-methylbenzenethiol;zinc has a molecular weight of 257.68 g/mol, XLogP of 2.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;2-methylbenzenethiol;zinc is sourced from PubChem (CID 70348825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).