1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione

C20H20N4S2Si — CID 102260917

IUPAC1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione
SMILESCn1ccn([Si](c2ccccc2)(c2ccccc2)n2ccn(C)c2=S)c1=S
InChIInChI=1S/C20H20N4S2Si/c1-21-13-15-23(19(21)25)27(17-9-5-3-6-10-17,18-11-7-4-8-12-18)24-16-14-22(2)20(24)26/h3-16H,1-2H3
InChIKeyHXQUBVIZZKDMIW-UHFFFAOYSA-N
MW408.63 g/mol
LogP3.08
Rot. Bonds4

About 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione

1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione (PubChem CID 102260917) has the molecular formula C20H20N4S2Si and a molecular weight of 408.63 g/mol. Its IUPAC name is 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione.

Molecular Properties

Compound Name1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione
PubChem CID102260917
Molecular FormulaC20H20N4S2Si
Molecular Weight408.63 g/mol
Exact Mass408.09
IUPAC Name1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione
SMILESCn1ccn([Si](c2ccccc2)(c2ccccc2)n2ccn(C)c2=S)c1=S
InChIInChI=1S/C20H20N4S2Si/c1-21-13-15-23(19(21)25)27(17-9-5-3-6-10-17,18-11-7-4-8-12-18)24-16-14-22(2)20(24)26/h3-16H,1-2H3
InChIKeyHXQUBVIZZKDMIW-UHFFFAOYSA-N
XLogP3.08
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione?
The IUPAC name of 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione (CID 102260917) is 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione.
What is the SMILES notation for 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione?
The canonical SMILES for 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione is Cn1ccn([Si](c2ccccc2)(c2ccccc2)n2ccn(C)c2=S)c1=S.
What is the InChIKey of 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione?
The InChIKey is HXQUBVIZZKDMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S2Si/c1-21-13-15-23(19(21)25)27(17-9-5-3-6-10-17,18-11-7-4-8-12-18)24-16-14-22(2)20(24)26/h3-16H,1-2H3.
What are the key properties of 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione?
1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione has a molecular weight of 408.63 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione is sourced from PubChem (CID 102260917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).