About methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate
methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate (PubChem CID 174478066) has the molecular formula C5H12BF4N2S-
and a molecular weight of 219.04 g/mol. Its IUPAC name is methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate.
Molecular Properties
| Compound Name | methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate |
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| PubChem CID | 174478066 |
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| Molecular Formula | C5H12BF4N2S- |
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| Molecular Weight | 219.04 g/mol |
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| Exact Mass | 219.08 |
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| IUPAC Name | methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate |
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| SMILES | C/N=C(\SC)N(C)C.F[B-](F)(F)F |
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| InChI | InChI=1S/C5H12N2S.BF4/c1-6-5(8-4)7(2)3;2-1(3,4)5/h1-4H3;/q;-1/b6-5-; |
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| InChIKey | FBFDMKPXLCQUQO-YSMBQZINSA-N |
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| XLogP | 2.20 |
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| TPSA | 15.60 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 219.04 |
| LogP ≤ 5 | 2.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate?
The IUPAC name of methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate (CID 174478066) is methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate.
What is the SMILES notation for methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate?
The canonical SMILES for methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate is C/N=C(\SC)N(C)C.F[B-](F)(F)F.
What is the InChIKey of methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate?
The InChIKey is FBFDMKPXLCQUQO-YSMBQZINSA-N. The full InChI is InChI=1S/C5H12N2S.BF4/c1-6-5(8-4)7(2)3;2-1(3,4)5/h1-4H3;/q;-1/b6-5-;.
What are the key properties of methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate?
methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate has a molecular weight of 219.04 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate is sourced from PubChem (CID 174478066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).