About disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate)
disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate) (PubChem CID 139138397) has the molecular formula C20H24Ag2F6N8O6S6
and a molecular weight of 994.59 g/mol. Its IUPAC name is disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate).
Molecular Properties
| Compound Name | disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate) |
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| PubChem CID | 139138397 |
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| Molecular Formula | C20H24Ag2F6N8O6S6 |
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| Molecular Weight | 994.59 g/mol |
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| Exact Mass | 991.81 |
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| IUPAC Name | disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate) |
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| SMILES | Cn1ccnc1SCSc1nccn1C.Cn1ccnc1SCSc1nccn1C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+] |
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| InChI | InChI=1S/2C9H12N4S2.2CHF3O3S.2Ag/c2*1-12-5-3-10-8(12)14-7-15-9-11-4-6-13(9)2;2*2-1(3,4)8(5,6)7;;/h2*3-6H,7H2,1-2H3;2*(H,5,6,7);;/q;;;;2*+1/p-2 |
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| InChIKey | UYEQGEUEWVHHPF-UHFFFAOYSA-L |
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| XLogP | 4.09 |
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| TPSA | 185.68 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 18 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 48 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 994.59 |
| LogP ≤ 5 | 4.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate) (CID 139138397) is disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate) is Cn1ccnc1SCSc1nccn1C.Cn1ccnc1SCSc1nccn1C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].
What is the InChIKey of disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate)?
The InChIKey is UYEQGEUEWVHHPF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H12N4S2.2CHF3O3S.2Ag/c2*1-12-5-3-10-8(12)14-7-15-9-11-4-6-13(9)2;2*2-1(3,4)8(5,6)7;;/h2*3-6H,7H2,1-2H3;2*(H,5,6,7);;/q;;;;2*+1/p-2.
What are the key properties of disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate)?
disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate) has a molecular weight of 994.59 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(1-methyl-2-[(1-methylimidazol-2-yl)sulfanylmethylsulfanyl]imidazole);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139138397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).