3,4,5-trimethyl-1H-imidazole-2-thione;zinc

C6H10N2SZn — CID 67341773

IUPAC3,4,5-trimethyl-1H-imidazole-2-thione;zinc
SMILESCc1[nH]c(=S)n(C)c1C.[Zn]
InChIInChI=1S/C6H10N2S.Zn/c1-4-5(2)8(3)6(9)7-4;/h1-3H3,(H,7,9);
InChIKeyOKAJTGYEGSBQBE-UHFFFAOYSA-N
MW207.62 g/mol
LogP1.70
Rot. Bonds

About 3,4,5-trimethyl-1H-imidazole-2-thione;zinc

3,4,5-trimethyl-1H-imidazole-2-thione;zinc (PubChem CID 67341773) has the molecular formula C6H10N2SZn and a molecular weight of 207.62 g/mol. Its IUPAC name is 3,4,5-trimethyl-1H-imidazole-2-thione;zinc.

Molecular Properties

Compound Name3,4,5-trimethyl-1H-imidazole-2-thione;zinc
PubChem CID67341773
Molecular FormulaC6H10N2SZn
Molecular Weight207.62 g/mol
Exact Mass205.99
IUPAC Name3,4,5-trimethyl-1H-imidazole-2-thione;zinc
SMILESCc1[nH]c(=S)n(C)c1C.[Zn]
InChIInChI=1S/C6H10N2S.Zn/c1-4-5(2)8(3)6(9)7-4;/h1-3H3,(H,7,9);
InChIKeyOKAJTGYEGSBQBE-UHFFFAOYSA-N
XLogP1.70
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-1H-imidazole-2-thione;zinc?
The IUPAC name of 3,4,5-trimethyl-1H-imidazole-2-thione;zinc (CID 67341773) is 3,4,5-trimethyl-1H-imidazole-2-thione;zinc.
What is the SMILES notation for 3,4,5-trimethyl-1H-imidazole-2-thione;zinc?
The canonical SMILES for 3,4,5-trimethyl-1H-imidazole-2-thione;zinc is Cc1[nH]c(=S)n(C)c1C.[Zn].
What is the InChIKey of 3,4,5-trimethyl-1H-imidazole-2-thione;zinc?
The InChIKey is OKAJTGYEGSBQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.Zn/c1-4-5(2)8(3)6(9)7-4;/h1-3H3,(H,7,9);.
What are the key properties of 3,4,5-trimethyl-1H-imidazole-2-thione;zinc?
3,4,5-trimethyl-1H-imidazole-2-thione;zinc has a molecular weight of 207.62 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1H-imidazole-2-thione;zinc is sourced from PubChem (CID 67341773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).