About trifluoromethanethiolate
trifluoromethanethiolate (PubChem CID 23432824) has the molecular formula CF3S-
and a molecular weight of 101.07 g/mol. Its IUPAC name is trifluoromethanethiolate.
Molecular Properties
| Compound Name | trifluoromethanethiolate |
|---|
| PubChem CID | 23432824 |
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| Molecular Formula | CF3S- |
|---|
| Molecular Weight | 101.07 g/mol |
|---|
| Exact Mass | 100.97 |
|---|
| IUPAC Name | trifluoromethanethiolate |
|---|
| SMILES | FC(F)(F)[S-] |
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| InChI | InChI=1S/CHF3S/c2-1(3,4)5/h5H/p-1 |
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| InChIKey | MFLLMKMFWIUACU-UHFFFAOYSA-M |
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| XLogP | 1.05 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 5 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 101.07 |
| LogP ≤ 5 | 1.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'thiol_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of trifluoromethanethiolate?
The IUPAC name of trifluoromethanethiolate (CID 23432824) is trifluoromethanethiolate.
What is the SMILES notation for trifluoromethanethiolate?
The canonical SMILES for trifluoromethanethiolate is FC(F)(F)[S-].
What is the InChIKey of trifluoromethanethiolate?
The InChIKey is MFLLMKMFWIUACU-UHFFFAOYSA-M. The full InChI is InChI=1S/CHF3S/c2-1(3,4)5/h5H/p-1.
What are the key properties of trifluoromethanethiolate?
trifluoromethanethiolate has a molecular weight of 101.07 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanethiolate is sourced from PubChem (CID 23432824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).