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

C15H18N4S2Si — CID 102260916

IUPAC1-methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione
SMILESCn1ccn([Si](C)(c2ccccc2)n2ccn(C)c2=S)c1=S
InChIInChI=1S/C15H18N4S2Si/c1-16-9-11-18(14(16)20)22(3,13-7-5-4-6-8-13)19-12-10-17(2)15(19)21/h4-12H,1-3H3
InChIKeyJMEOYAAWLOXOGO-UHFFFAOYSA-N
MW346.56 g/mol
LogP2.80
Rot. Bonds3

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

1-methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione (PubChem CID 102260916) has the molecular formula C15H18N4S2Si and a molecular weight of 346.56 g/mol. Its IUPAC name is 1-methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione.

Molecular Properties

Compound Name1-methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione
PubChem CID102260916
Molecular FormulaC15H18N4S2Si
Molecular Weight346.56 g/mol
Exact Mass346.07
IUPAC Name1-methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione
SMILESCn1ccn([Si](C)(c2ccccc2)n2ccn(C)c2=S)c1=S
InChIInChI=1S/C15H18N4S2Si/c1-16-9-11-18(14(16)20)22(3,13-7-5-4-6-8-13)19-12-10-17(2)15(19)21/h4-12H,1-3H3
InChIKeyJMEOYAAWLOXOGO-UHFFFAOYSA-N
XLogP2.80
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 52.80
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-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione?
The IUPAC name of 1-methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione (CID 102260916) is 1-methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione.
What is the SMILES notation for 1-methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione?
The canonical SMILES for 1-methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione is Cn1ccn([Si](C)(c2ccccc2)n2ccn(C)c2=S)c1=S.
What is the InChIKey of 1-methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione?
The InChIKey is JMEOYAAWLOXOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S2Si/c1-16-9-11-18(14(16)20)22(3,13-7-5-4-6-8-13)19-12-10-17(2)15(19)21/h4-12H,1-3H3.
What are the key properties of 1-methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione?
1-methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione has a molecular weight of 346.56 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione is sourced from PubChem (CID 102260916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).